SCHEMBL7944370

SCHEMBL7944370

O=c1[nH]nc(-c2ccc(C(F)(F)F)cc2)n1-c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.53
CYP1A2 P05177 2/20 0.53
MEN1 O00255 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
CYP2C19 P33261 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53
KCNMA1 Q12791 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
SNCA P37840 2/20 0.40
COMT P21964 1/20 0.39
NOTUM Q6P988 2/20 0.39
MAPK1 P28482 1/20 0.39
MAP2K4 P45985 1/20 0.39
MAPKAPK2 P49137 1/20 0.39

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
SCHEMBL7954476 0.90 HSP90AA1 (0.44) HSP90AA1CYP1A2MEN1CYP3A4MAPT
SCHEMBL7952303 0.81 SMN1; SMN2 (0.50) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL5755422 0.81 HSP90AA1 (0.41) HSP90AA1CYP1A2MEN1CYP3A4MAPT
SCHEMBL5756223 0.80 CYP1A2 (0.48) HSP90AA1CYP1A2MEN1CYP3A4MAPT
SCHEMBL5752968 0.76 HSP90AA1 (0.44) HSP90AA1KMT2A
SCHEMBL5754999 0.76 GFER (0.51) MAPTKMT2ANPSR1LMNAHTT
SCHEMBL7952036 0.73 SMN1; SMN2 (0.47) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL7944372 0.72 HSP90AA1 (0.50) HSP90AA1CYP1A2MEN1CYP3A4MAPT
SCHEMBL5754911 0.71 HSP90AA1 (0.41) HSP90AA1CYP1A2MEN1CYP3A4MAPT
SCHEMBL7950909 0.71 P2RX1 (0.44) HSP90AA1CYP1A2CYP3A4CYP2C9CYP2C19

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 2 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