SCHEMBL5017012

SCHEMBL5017012

Cc1ccc(N(C)C)cc1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 7/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 4/20 0.39
APP P05067 3/20 0.38
TERT O14746 1/20 0.38
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
APAF1 O14727 1/20 0.36
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34
NSD2 O96028 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TDP1 Q9NUW8 1/20 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
SCHEMBL4300398 0.83 TSHR (0.45) TSHRALDH1A1ALOX15HSD17B10MAPT
SCHEMBL1628532 0.78 NPSR1 (0.42) TSHRALDH1A1MAPTMEN1KMT2A
SCHEMBL3165753 0.78 TRPV4 (0.39) TSHRALDH1A1ALOX15HSD17B10MAPT
SCHEMBL29907686 0.78 TRPV4 (0.39) TSHRALDH1A1ALOX15HSD17B10MAPT
SCHEMBL20732874 0.78 ALDH1A1 (0.39) TSHRALDH1A1ALOX15HSD17B10MAPT
SCHEMBL10933249 0.78 ALDH1A1 (0.41) TSHRALDH1A1ALOX15HSD17B10MAPT
SCHEMBL13979471 0.78 ALDH1A1 (0.41) TSHRALDH1A1ALOX15HSD17B10MAPT
SCHEMBL29330206 0.78 ALDH1A1 (0.41) TSHRALDH1A1ALOX15HSD17B10MAPT
SCHEMBL29330383 0.76 ALDH1A1 (0.37) TSHRALDH1A1ALOX15HSD17B10MAPT
SCHEMBL11255247 0.75 ALDH1A1 (0.40) TSHRALDH1A1ALOX15HSD17B10MAPT

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
WO-2020035052-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-02-20 WO disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed
WO-2008137102-A2 METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR TORREYPINES THERAPEUTICS, INC. (US) 2008-11-13 WO disclosed