SCHEMBL114129

SCHEMBL114129

Cc1cc2c(cc1N)N(c1ccccc1)c1cc(N)c(C)cc1N2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
GNG2 P59768 1/20 0.42
GNB1 P62873 1/20 0.42
ALDH1A1 P00352 7/20 0.36
MAPT P10636 6/20 0.36
MEN1 O00255 6/20 0.36
KMT2A Q03164 6/20 0.36
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
HSD17B10 Q99714 3/20 0.36
USP2 O75604 3/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 2/20 0.36
CASP1 P29466 1/20 0.36
CACNA1B Q00975 1/20 0.36
APBA1 Q02410 1/20 0.36
GAA P10253 2/20 0.35
MCL1 Q07820 1/20 0.35
RGS12 O14924 2/20 0.34

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
Hydrochloric Acid SCHEMBL30431952 0.98 KDM4E (0.42) KDM4EGNG2GNB1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL27752560 0.98 KDM4E (0.42) KDM4EGNG2GNB1ALDH1A1MAPT
SCHEMBL5134183 0.91 ALDH1A1 (0.43) KDM4EGNG2GNB1ALDH1A1MAPT
SCHEMBL863274 0.91 ALDH1A1 (0.43) KDM4EGNG2GNB1ALDH1A1MAPT
SCHEMBL10048542 0.87 APAF1 (0.41) KDM4EGNG2GNB1ALDH1A1MAPT
Sulfuric Acid SCHEMBL4915014 0.84 KDM4E (0.41) KDM4EGNG2GNB1ALDH1A1MAPT
SCHEMBL2979623 0.84 KDM4E (0.36) KDM4EGNG2GNB1ALDH1A1HSD17B10
SCHEMBL27752559 0.84 KDM4E (0.35) KDM4EGNG2GNB1ALDH1A1MAPT
SCHEMBL10045054 0.83 S100B (0.46) KDM4EGNG2GNB1ALDH1A1MAPT
SCHEMBL863067 0.83 GNG2 (0.40) KDM4EGNG2GNB1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4137402-A Quaternary ammonium salts of dantrolene and clodanolene MORTON-NORWICH PRODUCTS, INC. (US) 1979-01-30 US claimed
CN-108036988-A Sperm rapid staining solution 黄道连 2018-05-15 CN disclosed
EP-2424491-B1 FILM FORMER IN HAIR COLOURS HENKEL AG & CO KGAA (DE) 2017-05-24 EP disclosed
US-20140299149-A1 COMPOSITIONS AND METHODS FOR TREATING KERATIN BASED FIBERS COOLWAY INC (US) 2014-10-09 US disclosed
US-8771658-B2 Compositions and methods for treating keratin based fibers COOLWAY INC. (US) 2014-07-08 US disclosed
US-20120093755-A1 COMPOSITIONS AND METHODS FOR TREATING KERATIN BASED FIBERS MANEWORX INC. (US) 2012-04-19 US disclosed
EP-2424491-A2 FILM FORMER IN HAIR DYES Henkel AG & Co. KGaA (DE) 2012-03-07 EP disclosed
WO-2010124897-A2 FILM FORMER IN HAIR DYES HENKEL AG & CO. KGAA (DE) 2010-11-04 WO disclosed
EP-0705597-A1 Process of direct hair dyeing using cationic direct dyes and steam L'OREAL (FR) 1996-04-10 EP disclosed
US-4137402-A Quaternary ammonium salts of dantrolene and clodanolene MORTON-NORWICH PRODUCTS, INC. (US) 1979-01-30 US disclosed