SCHEMBL7943951

SCHEMBL7943951

O=c1[nH]c(-c2ccc(C(F)(F)F)cc2C(F)(F)F)nn1-c1cc(Cl)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 6/20 0.41
CYP2C9 P11712 4/20 0.41
HSP90AA1 P07900 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
KCNMA1 Q12791 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP2D6 P10635 1/20 0.38
BIRC5 O15392 1/20 0.38
P2RX1 P51575 3/20 0.37
P2RX4 Q99571 3/20 0.37
P2RX7 Q99572 3/20 0.37

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
SCHEMBL5754043 0.87 HSD11B1 (0.39) TMPRSS4HSP90AA1KMT2AMAPTNPSR1
SCHEMBL5754955 0.84 COMT (0.44) TMPRSS4CYP2C9HSP90AA1CYP1A2CYP3A4
SCHEMBL7953052 0.82 P2RX1 (0.39) TMPRSS4CYP2C9HSP90AA1CYP1A2CYP3A4
SCHEMBL5755561 0.82 MAPT (0.47) TMPRSS4CYP2C9HSP90AA1CYP1A2CYP3A4
SCHEMBL7944057 0.80 ARF6 (0.37) TMPRSS4CYP2C9HSP90AA1CYP1A2CYP3A4
SCHEMBL7954586 0.78 ATM (0.48) TMPRSS4CYP2C9CYP1A2CYP3A4CYP2C19
SCHEMBL7944372 0.77 HSP90AA1 (0.50) CYP2C9HSP90AA1CYP1A2CYP3A4CYP2C19
SCHEMBL7043568 0.74 MEN1 (0.36) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL7042198 0.73 IDO1 (0.33) MAPT
SCHEMBL7043221 0.71 KMT2A (0.44) CYP2C9HSP90AA1CYP1A2CYP3A4CYP2C19

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