SCHEMBL7954470

SCHEMBL7954470

COc1cc(N)c(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)[nH]c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
RAB9A P51151 1/20 0.39
HSP90AA1 P07900 1/20 0.36
HSP90B1 P14625 1/20 0.36
TRAP1 Q12931 1/20 0.36
NPBWR1 P48145 1/20 0.36
RIPK3 Q9Y572 1/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 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
SCHEMBL7954578 0.86 NPC1 (0.35) ATM
SCHEMBL5755340 0.85 COMT (0.40) TNKSTNKS2RAB9AHSP90AA1HSP90B1
SCHEMBL7950750 0.85 NLRP3 (0.41) TNKSTNKS2PARP2RAB9ACTSS
SCHEMBL5755628 0.81 ABHD6 (0.41) RAB9ANPBWR1GABRPGABRDGABRA1
SCHEMBL5754718 0.74 COMT (0.42) TNKSTNKS2P2RX7CTSS
SCHEMBL27506557 0.70 ACHE (0.33) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5754313 0.70 MEN1 (0.37) RAB9AHSP90B1TRAP1MEN1KMT2A
SCHEMBL7952535 0.69 TNKS (0.43) TNKSTNKS2PARP2RAB9AATM
SCHEMBL8385492 0.69 TNKS (0.46) TNKSTNKS2PARP2RAB9ANPBWR1
SCHEMBL5755180 0.68 FAAH (0.38) KMT2A

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
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