SCHEMBL7474836

SCHEMBL7474836

C=C(Cl)Cn1c(C)c(C)c2cn[nH]c(=O)c21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HSD17B10 Q99714 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 2/20 0.41
KDM4A O75164 1/20 0.41
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
USP2 O75604 1/20 0.36
POLB P06746 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
SCHEMBL7476256 0.88 KDM4E (0.41) KDM4ETSHRALDH1A1HSD17B10CYP1A2
SCHEMBL7477781 0.77 KDM4E (0.47) KDM4ETSHRALDH1A1HSD17B10CYP1A2
SCHEMBL7485703 0.76 KDM4E (0.41) KDM4ETSHRALDH1A1HSD17B10CYP1A2
SCHEMBL9740097 0.76 KDM4E (0.67) KDM4ETSHRALDH1A1HSD17B10CYP1A2
SCHEMBL7474802 0.75 KDM4E (0.43) KDM4ETSHRALDH1A1HSD17B10CYP1A2
SCHEMBL7476320 0.75 KDM4E (0.42) KDM4ETSHRALDH1A1HSD17B10CYP1A2
SCHEMBL5237590 0.75 CYP1A2 (0.45) KDM4ETSHRALDH1A1HSD17B10CYP1A2
SCHEMBL5237595 0.75 CYP1A2 (0.45) KDM4ETSHRALDH1A1HSD17B10CYP1A2
SCHEMBL7475189 0.75 KDM4E (0.40) KDM4ETSHRALDH1A1HSD17B10CYP1A2
SCHEMBL7479944 0.74 ALDH1A1 (0.41) KDM4ETSHRALDH1A1HSD17B10CYP1A2

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
EP-0742218-B1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO CO (JP) 2002-12-04 EP disclosed
US-6063782-A Pyrrolopyridazine derivatives SANKYO COMPANY, LIMITED (JP) 2000-05-16 US disclosed
EP-0742218-A1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO COMPANY LIMITED (JP) 1996-11-13 EP disclosed