SCHEMBL7730133

SCHEMBL7730133

CCOC(=O)Nc1cc(-c2ccc(SC)cc2)nn(C/C=C/c2ccc(Cl)cc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 3/20 0.44
NPC1 O15118 4/20 0.43
POLB P06746 2/20 0.43
RAB9A P51151 2/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.38
GAA P10253 1/20 0.38
ADORA3 P0DMS8 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
ENPP2 Q13822 1/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL7730137 1.00 TSHR (0.45) TSHRALDH1A1MAPK1NPC1POLB
SCHEMBL7723477 0.89 KMT2A (0.47) TSHRALDH1A1MAPK1NPC1POLB
SCHEMBL7723481 0.89 KMT2A (0.47) TSHRALDH1A1MAPK1NPC1POLB
SCHEMBL7724780 0.87 KMT2A (0.40) ALDH1A1NPC1POLBRAB9ALMNA
SCHEMBL7724782 0.87 KMT2A (0.40) ALDH1A1NPC1POLBRAB9ALMNA
SCHEMBL7723586 0.85 ALDH1A1 (0.43) TSHRALDH1A1MAPK1NPC1POLB
SCHEMBL7723587 0.85 ALDH1A1 (0.43) TSHRALDH1A1MAPK1NPC1POLB
SCHEMBL7720201 0.85 TSHR (0.41) TSHRALDH1A1MAPK1NPC1POLB
SCHEMBL7720205 0.85 TSHR (0.41) TSHRALDH1A1MAPK1NPC1POLB
SCHEMBL7730108 0.83 P2RX3 (0.41) TSHRALDH1A1MAPK1NPC1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6403586-B1 Pyridazine derivatives and drugs containing the same as the active ingredient KOWA CO., LTD. (JP) 2002-06-11 US disclosed
EP-1061077-A1 NOVEL PYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT Kowa Co., Ltd. (JP) 2000-12-20 EP disclosed