SCHEMBL9201378

SCHEMBL9201378

O=c1c2ncccc2[c]nn1Cc1ccc(Br)cc1F

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 7/20 0.57
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TRAP1 Q12931 4/20 0.38
HSP90AA1 P07900 2/20 0.38
HSP90AB1 P08238 1/20 0.38
CHRM5 P08912 1/20 0.38
P2RX7 Q99572 2/20 0.37
HSP90B1 P14625 3/20 0.36
GRM2 Q14416 2/20 0.35
AKR1A1 P14550 1/20 0.35
MAPT P10636 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
SCHEMBL9207611 0.84 AKR1B1 (0.54) AKR1B1MEN1CYP1A2CYP2C9KMT2A
SCHEMBL9199064 0.71 AKR1B1 (0.67) AKR1B1MEN1CYP1A2CYP2C9KMT2A
SCHEMBL9209897 0.70 AKR1B1 (0.85) AKR1B1MEN1CYP1A2CYP2C9KMT2A
SCHEMBL9205172 0.69 AKR1B1 (0.62) AKR1B1MEN1CYP1A2CYP2C9KMT2A
SCHEMBL9870990 0.68 AKR1B1 (0.62) AKR1B1MEN1CYP1A2CYP2C9KMT2A
SCHEMBL29303320 0.67 CYP1A2 (0.57) AKR1B1MEN1CYP1A2KMT2ACHRM5
SCHEMBL30975681 0.67 CYP1A2 (0.57) AKR1B1MEN1CYP1A2KMT2ACHRM5
SCHEMBL1045552 0.66 POLB (0.43) MEN1KMT2AGRM2MAPT
SCHEMBL9872250 0.66 AKR1B1 (0.57) AKR1B1MEN1CYP1A2CYP2C9KMT2A
SCHEMBL6101025 0.65 CHRM5 (0.46) AKR1B1MEN1CYP1A2CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0401981-B1 Pyridazinone deriratives PFIZER (US) 1995-04-26 EP disclosed