SCHEMBL6100730

SCHEMBL6100730

CCCn1nc2ccc(CC(=O)Nc3snc(C)c3Cl)cc2n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
TP53 P04637 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RORC P51449 2/20 0.35
CSNK1D P48730 3/20 0.34
CACNA1H O95180 3/20 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
SCHEMBL7997967 0.82 KDM4E (0.41) MAPTMAPK1KDM4EALDH1A1GAA
SCHEMBL7998415 0.79 KDM4E (0.39) MAPTMAPK1KDM4EALDH1A1GAA
SCHEMBL7996112 0.77 RAB9A (0.51) KDM4EALDH1A1GAASMN1; SMN2CSNK1D
SCHEMBL7232438 0.75 GLS (0.43) MAPTKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL6100575 0.75 TP53 (0.30) TP53
SCHEMBL7997959 0.75 KDR (0.43) MAPTTP53RXFP1KDM4EALDH1A1
SCHEMBL6100365 0.75 CACNA1H (0.35) MAPTTP53RXFP1KDM4EALDH1A1
SCHEMBL7998311 0.74 GLS (0.44) MAPTKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL7230936 0.74 GAA (0.47) ALDH1A1GAACSNK1D
SCHEMBL7735892 0.73 RAB9A (0.46) MAPTRXFP1KDM4EALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7112553-B1 Pesticidal indazole or benzotriazole derivatives SYNGENTA LIMITED (GB) 2006-09-26 US disclosed
EP-1171437-B1 PESTICIDAL INDAZOLE OR BENZOTRIAZOLE DERIVATIVES SYNGENTA LTD (GB) 2003-10-08 EP disclosed
EP-1171437-A1 PESTICIDAL INDAZOLE OR BENZOTRIAZOLE DERIVATIVES Syngenta Limited (GB) 2002-01-16 EP disclosed
WO-2000063207-A1 PESTICIDAL INDAZOLE OR BENZOTRIAZOLE DERIVATIVES SYNGENTA LIMITED (GB) 2000-10-26 WO disclosed