SCHEMBL7812181

SCHEMBL7812181

CC(=O)c1ccc(-c2cc(N)ccc2N(CCO)CCO)o1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HPGD P15428 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
PABPC1 P11940 1/20 0.32
KDM4E B2RXH2 2/20 0.32
POLB P06746 1/20 0.32
SLC9A1 P19634 5/20 0.31
MAPT P10636 2/20 0.31
NPC1 O15118 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL7809861 0.82 ALDH1A1 (0.34) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL7808469 0.81 KDM4E (0.30) ALDH1A1KDM4EMAPT
SCHEMBL7805971 0.80 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ACHRM2CHRM4
SCHEMBL7800638 0.80 ALDH1A1 (0.38) ALDH1A1L3MBTL1MEN1KMT2AKDM4E
SCHEMBL7459378 0.79 ALDH1A1 (0.34) ALDH1A1MEN1KMT2APABPC1
SCHEMBL7812228 0.79 KDM4E (0.38) ALDH1A1L3MBTL1HPGDMEN1KMT2A
SCHEMBL7812266 0.78 KDM4E (0.38) ALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL7812184 0.78 ALDH1A1 (0.39) ALDH1A1L3MBTL1HPGDMEN1KMT2A
SCHEMBL7812165 0.77 ALDH1A1 (0.43) ALDH1A1L3MBTL1HPGDMEN1KMT2A
SCHEMBL6570709 0.76 ALDH1A1 (0.44) ALDH1A1MEN1KMT2APABPC1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0943614-B1 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives WELLA AG (DE) 2001-12-12 EP disclosed
US-6042620-A FOR DYEING KERATIN FIBERS SUCH AS HAIR WELLA AG (DE) 2000-03-28 US disclosed
EP-0943614-A2 Dyeing agents comprising diaminobenzene derivatives and the diaminobenzene derivatives Wella Aktiengesellschaft (DE) 1999-09-22 EP disclosed