SCHEMBL7476320

SCHEMBL7476320

Cc1c(C)n(CC(F)(F)F)c2c(=O)[nH]ncc12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
TSHR P16473 3/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4A O75164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
METAP2 P50579 13/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7477781 0.82 KDM4E (0.47) KDM4ETSHRLMNAHSD17B10KDM4A
SCHEMBL7478727 0.80 KDM4E (0.39) KDM4ETSHRLMNAHSD17B10KDM4A
SCHEMBL7478732 0.80 KDM4E (0.39) KDM4ETSHRLMNAHSD17B10KDM4A
SCHEMBL7474802 0.80 KDM4E (0.43) KDM4ETSHRLMNAHSD17B10KDM4A
SCHEMBL7479984 0.79 KDM4E (0.44) KDM4ETSHRLMNAHSD17B10KDM4A
SCHEMBL7475545 0.77 KDM4E (0.42) KDM4ETSHRLMNAHSD17B10KDM4A
SCHEMBL7478981 0.77 KDM4E (0.42) KDM4ETSHRLMNAHSD17B10KDM4A
SCHEMBL7475189 0.77 KDM4E (0.40) KDM4ETSHRLMNAHSD17B10KDM4A
SCHEMBL7479944 0.76 ALDH1A1 (0.41) KDM4ETSHRLMNAHSD17B10KDM4A
SCHEMBL7479948 0.76 ALDH1A1 (0.41) KDM4ETSHRLMNAHSD17B10KDM4A

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