SCHEMBL4650326

SCHEMBL4650326

Nc1ncccc1N=Nc1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.55
CCNE1 P24864 1/20 0.55
CDK2 P24941 1/20 0.55
F12 P00748 1/20 0.52
PLAU P00749 1/20 0.52
NCF1 P14598 1/20 0.52
NOS3 P29474 1/20 0.52
NOS1 P29475 1/20 0.52
NOS2 P35228 1/20 0.52
BACE1 P56817 1/20 0.52
HPGD P15428 3/20 0.48
CYP1A2 P05177 3/20 0.48
HIF1A Q16665 2/20 0.48
KMT2A Q03164 9/20 0.48
MEN1 O00255 8/20 0.48
TDP1 Q9NUW8 5/20 0.48
MAPT P10636 4/20 0.48
LMNA P02545 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPK1 P28482 3/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8692039 0.80 CYP1A2 (0.48) CCNE2CCNE1CDK2F12PLAU
SCHEMBL8692042 0.80 CYP1A2 (0.48) CCNE2CCNE1CDK2F12PLAU
SCHEMBL7650795 0.79 CYP1A2 (0.58) CCNE2CCNE1CDK2HPGDCYP1A2
SCHEMBL2291745 0.79 CYP1A2 (0.58) CCNE2CCNE1CDK2HPGDCYP1A2
SCHEMBL5708957 0.77 TDP1 (0.67) CCNE2CCNE1CDK2PLAUHPGD
SCHEMBL5708960 0.77 TDP1 (0.67) CCNE2CCNE1CDK2PLAUHPGD
SCHEMBL28496032 0.77 CYP1A2 (0.56) CCNE2CCNE1CDK2HPGDCYP1A2
Benzene SCHEMBL7716364 0.77 CYP1A2 (0.56) CCNE2CCNE1CDK2HPGDCYP1A2
SCHEMBL30854927 0.77 CYP1A2 (0.56) CCNE2CCNE1CDK2HPGDCYP1A2
Benzene SCHEMBL11235066 0.77 CYP1A2 (0.56) CCNE2CCNE1CDK2HPGDCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0702107-A2 Process for dyeing melamine-formaldehyde condensation products BASF Aktiengesellschaft (DE) 1996-03-20 EP claimed
EP-1000123-B1 USE OF REACTIVE DYES FOR DYEING HAIR BASF SE (DE) 2008-09-10 EP disclosed
CN-1229099-C Use of reactive dyes for dyeing hair BASF AG (DE) 2005-11-30 CN disclosed
CN-1104471-C Double reactive dyes BASF AG (DE) 2003-04-02 CN disclosed
CN-1104472-C Reactive dyes with heterocyclic anchor BASF AG (DE) 2003-04-02 CN disclosed
US-6485527-B1 Use of reactive dyes for dyeing hair BASF AKTIENGESELLSCHAFT (DE) 2002-11-26 US disclosed
EP-0929610-B1 REACTIVE DYES WITH A HETEROCYCLIC ANCHOR DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-08-28 EP disclosed
EP-1027387-B1 DOUBLE REACTIVE DYES DYSTAR TEXTILFARBEN GMBH & CO (DE) 2002-02-06 EP disclosed
CN-1072235-C Process for preparing dyed melamine-formaldehyde condensation products BASF AG (DE) 2001-10-03 CN disclosed
US-6197941-B1 TRIAZINE, METALLIZED, AZO, ANTHRAQUINONE, FORMAZAN, PHTHALOCYANINE, AND DIOXAZINE DYES BASF AKTIENGESELLSCHAFT (DE) 2001-03-06 US disclosed
EP-0492236-B1 Reactive dyes with alkenylsulphonyl or alkinylsulphonyl groups serving as anchor BASF AG (DE) 1995-08-02 EP disclosed
EP-0391264-B1 Reactive dyes with two or three halogen-N-heterocycles as reactive groups BASF AG (DE) 1995-01-18 EP disclosed
EP-0433821-B1 Reactive dyes having an anchor on basis of alkenylsulfonyl and benzyl compounds as their intermediates BASF AG (DE) 1994-09-28 EP disclosed
US-5245020-A Reactive dyes with two or three nitrogen-containing haloheterocycles as reactive system BASF AKTIENGESELLSCHAFT (DE) 1993-09-14 US disclosed
US-5241055-A Use in cold pad-batch processing; fixing; fiber bonding; color- and washfastness; monoazo-, disazo-formazan, triphenyldioxazine and metal phthalocyanine dyes BASF AKTIENGESELLSCHAFT (DE) 1993-08-31 US disclosed
US-5231171-A Dyeing or printing substrates such as cellulose BASF AKTIENGESELLSCHAFT (DE) 1993-07-27 US disclosed
US-5149789-A Triazine dyes BASF AKTIENGESELLSCHAFT (DE) 1992-09-22 US disclosed
EP-0492236-A1 Reactive dyes with alkenylsulphonyl or alkinylsulphonyl groups serving as anchor BASF Aktiengesellschaft (DE) 1992-07-01 EP disclosed
EP-0433821-A1 Reactive dyes having an anchor on basis of alkenylsulfonyl and benzyl compounds as their intermediates BASF Aktiengesellschaft (DE) 1991-06-26 EP disclosed
EP-0391264-A1 Reactive dyes with two or three halogen-N-heterocycles as reactive groups BASF Aktiengesellschaft (DE) 1990-10-10 EP disclosed