SCHEMBL7954690

SCHEMBL7954690

O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)cn1-c1cc(Cl)ccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
GAA P10253 1/20 0.46
CYP2C9 P11712 3/20 0.42
HSP90AA1 P07900 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
KMT2A Q03164 1/20 0.42
KCNMA1 Q12791 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5754955 0.75 COMT (0.44) CYP2C9HSP90AA1CYP1A2CYP3A4CYP2C19
SCHEMBL7954476 0.73 HSP90AA1 (0.44) CYP2C9HSP90AA1CYP1A2CYP3A4CYP2C19
SCHEMBL7944067 0.72 HSP90AA1 (0.46) HSP90AA1CYP3A4TMPRSS4P2RX1P2RX4
SCHEMBL5753874 0.71 IDO1 (0.41) ALDH1A1KDM4EGAACYP2C9CYP1A2
SCHEMBL3102522 0.70 HSP90AA1 (0.83) KDM4ECYP2C9HSP90AA1CYP1A2CYP3A4
SCHEMBL29948904 0.70 HSP90AA1 (0.83) KDM4ECYP2C9HSP90AA1CYP1A2CYP3A4
SCHEMBL29748943 0.70 HSP90AA1 (0.83) KDM4ECYP2C9HSP90AA1CYP1A2CYP3A4
SCHEMBL8389156 0.69 TMPRSS4 (0.40) CYP2C9MEN1KMT2ATMPRSS4P2RX1
SCHEMBL8911620 0.68 CYP2C9 (0.41) CYP2C9HSP90AA1CYP1A2CYP3A4CYP2C19
SCHEMBL7953052 0.68 P2RX1 (0.39) KDM4ECYP2C9HSP90AA1CYP1A2CYP3A4

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