SCHEMBL7954476

SCHEMBL7954476

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 8/20 0.44
CYP1A2 P05177 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNMA1 Q12791 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MARS1 P56192 1/20 0.40
P2RX1 P51575 1/20 0.39
P2RX4 Q99571 1/20 0.39
P2RX7 Q99572 1/20 0.39
TMPRSS4 Q9NRS4 1/20 0.39
SNCA P37840 2/20 0.38

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
SCHEMBL5755422 0.91 HSP90AA1 (0.41) HSP90AA1CYP1A2MEN1CYP3A4MAPT
SCHEMBL7944370 0.90 HSP90AA1 (0.53) HSP90AA1CYP1A2MEN1CYP3A4MAPT
SCHEMBL5756223 0.88 CYP1A2 (0.48) HSP90AA1CYP1A2MEN1CYP3A4MAPT
SCHEMBL5752968 0.87 HSP90AA1 (0.44) HSP90AA1KMT2AMARS1P2RX7TLR8
SCHEMBL5754999 0.86 GFER (0.51) MAPTKMT2ANPSR1
SCHEMBL7952036 0.83 SMN1; SMN2 (0.47) CYP1A2CYP3A4MAPTCYP2C9CYP2C19
SCHEMBL5754911 0.81 HSP90AA1 (0.41) HSP90AA1CYP1A2MEN1CYP3A4MAPT
SCHEMBL7950909 0.79 P2RX1 (0.44) HSP90AA1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5753619 0.76 TMPRSS4 (0.38) HSP90AA1CYP1A2MEN1CYP3A4MAPT
SCHEMBL5754955 0.74 COMT (0.44) HSP90AA1CYP1A2MEN1CYP3A4MAPT

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