SCHEMBL6934987

SCHEMBL6934987

CCOc1nnc(Cl)c2c1CCCC2

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.36
HTT P42858 1/20 0.36
CHRM3 P20309 3/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
OPRK1 P41145 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ELANE P08246 1/20 0.30

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
SCHEMBL6932370 0.79 ALDH1A1 (0.33) GLAHTTHTR2CKDM4EALDH1A1
SCHEMBL587789 0.74 MAPK1 (0.37) GLAHTTKDM4EALDH1A1
SCHEMBL30101051 0.74 MAPK1 (0.37) GLAHTTKDM4EALDH1A1
SCHEMBL24379631 0.72 NSD2 (0.35) GLAHTTKDM4E
SCHEMBL30932816 0.72 NSD2 (0.35) GLAHTTKDM4E
SCHEMBL28934784 0.72 NSD2 (0.35) GLAHTTKDM4E
SCHEMBL30375516 0.70 MAPK1 (0.32) KDM4E
SCHEMBL581560 0.70 MAPK1 (0.32) KDM4E
SCHEMBL6937153 0.68 ALDH1A1 (0.33) POLBTSHRALDH1A1
SCHEMBL6935588 0.68 CYP1A2 (0.35) HTTGAAKDM4EALDH1A1

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
EP-1058681-B1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME SEOUL PHARM CO LTD (KR) 2003-05-07 EP disclosed
EP-1058681-A1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME Seoul Pharm. Co., Ltd. (KR) 2000-12-13 EP disclosed
US-5942511-A PROTECTION OF HUMAN TISSUE FROM RADIATION Kwon, Soon Kyoung (KR) 1999-08-24 US disclosed
WO-1999036407-A1 NOVEL ALLYLTHIOPYRIDAZINE DERIVATIVES AND PROCESS FOR PREPARING THE SAME SEOUL PHARM. CO., LTD. (KR) 1999-07-22 WO disclosed