SCHEMBL7480561

SCHEMBL7480561

Cc1c(C)n(C/C=C/c2ccccc2)c2c(=O)[nH]ncc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 4/20 0.45
LMNA P02545 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4A O75164 1/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 1/20 0.38
USP2 O75604 1/20 0.38
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 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
SCHEMBL7480566 1.00 KDM4E (0.45) KDM4EHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL7479948 0.82 ALDH1A1 (0.41) KDM4EHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL7479944 0.82 ALDH1A1 (0.41) KDM4EHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL7479135 0.81 KDM4E (0.41) KDM4EHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL9740097 0.79 KDM4E (0.67) KDM4EHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL7475545 0.78 KDM4E (0.42) KDM4EHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL7478727 0.78 KDM4E (0.39) KDM4EHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL7485703 0.76 KDM4E (0.41) KDM4EHSD17B10CYP1A2CYP2C9CYP2C19
SCHEMBL7476839 0.75 NPSR1 (0.40) KDM4ETSHRLMNAALDH1A1NPSR1
SCHEMBL7476837 0.75 NPSR1 (0.40) KDM4ETSHRLMNAALDH1A1NPSR1

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