SCHEMBL7944175

SCHEMBL7944175

Nc1cc(O)c(-c2nn(-c3ccc(C(F)(F)F)cc3)c(=O)o2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.39
NOTUM Q6P988 2/20 0.37
NPBWR1 P48145 2/20 0.36
CYP2C9 P11712 1/20 0.35
PTGS2 P35354 1/20 0.35
MCHR1 Q99705 1/20 0.35
PDPK1 O15530 2/20 0.35
ATM Q13315 1/20 0.34
KEAP1 Q14145 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
SCHEMBL5753908 0.85 LMNA (0.42) KMT2AMAPTATM
SCHEMBL5756323 0.84 TMPRSS4 (0.44) KMT2AMAPTCYP2C9
SCHEMBL5804359 0.84 RPA1 (0.38) KMT2AMAPTCYP2C9PTGS2
SCHEMBL1261092 0.73 KIF11 (0.47) KMT2ANOTUMCYP2C9PTGS2PDPK1
SCHEMBL7944461 0.72 MAPT (0.49) KMT2AMAPTNPBWR1CYP2C9MCHR1
SCHEMBL5753883 0.72 KMT2A (0.41) KMT2ANOTUM
SCHEMBL7957472 0.72 MAPT (0.45) KMT2AMAPTNPBWR1CYP2C9
SCHEMBL27410741 0.70 PRKCZ (0.31) PTGS2
SCHEMBL7957435 0.70 LMNA (0.49) KMT2AMAPTNPBWR1CYP2C9ATM
SCHEMBL7952848 0.69 LMNA (0.40) KMT2AMAPTATM

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
US-5869509-A TREAT DISORDERS RESPONSIVE TO OPENERS OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-09 US claimed
US-6271249-B1 Diphenyl imidazoles as potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 US disclosed
US-6077861-A MODULATORS OF THE LARGE-CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM (BK) CHANNELS, THEREFORE, USEFUL IN THE TREATMENT OF ISCHEMIC STROKE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-20 US disclosed
US-5869509-A TREAT DISORDERS RESPONSIVE TO OPENERS OF THE LARGE CONDUCTANCE CALCIUM-ACTIVATED POTASSIUM CHANNELS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-02-09 US disclosed