SCHEMBL7954586

SCHEMBL7954586

O=c1[nH]c(-c2cc(Cl)ccc2O)nn1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
TMPRSS4 Q9NRS4 4/20 0.44
P2RX1 P51575 3/20 0.44
P2RX4 Q99571 2/20 0.44
P2RX7 Q99572 2/20 0.44
CYP2C9 P11712 6/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP2D6 P10635 2/20 0.43
CYP1A2 P05177 1/20 0.43
BIRC5 O15392 1/20 0.42
IDO1 P14902 1/20 0.39
KMT2A Q03164 2/20 0.38
NR3C1 P04150 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
MEN1 O00255 1/20 0.37
IKBKB O14920 1/20 0.37
CHUK O15111 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 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
SCHEMBL7957104 0.83 ATM (0.46) ATMCYP2C9CYP3A4CYP2C19CYP1A2
SCHEMBL5754955 0.79 COMT (0.44) ATMTMPRSS4P2RX1P2RX4P2RX7
SCHEMBL7943951 0.78 TMPRSS4 (0.41) TMPRSS4P2RX1P2RX4P2RX7CYP2C9
SCHEMBL5756323 0.77 TMPRSS4 (0.44) TMPRSS4P2RX1P2RX4P2RX7CYP2C9
SCHEMBL7950909 0.74 P2RX1 (0.44) TMPRSS4P2RX1P2RX4P2RX7CYP2C9
SCHEMBL7953052 0.74 P2RX1 (0.39) TMPRSS4P2RX1P2RX4P2RX7CYP2C9
SCHEMBL15551302 0.74 ATM (0.43) ATMCYP2C9KMT2A
SCHEMBL5754043 0.73 HSD11B1 (0.39) TMPRSS4KMT2AHDAC6
SCHEMBL15552791 0.73 ATM (0.42) ATMCYP2C9KMT2A
SCHEMBL5755561 0.72 MAPT (0.47) TMPRSS4P2RX1P2RX4P2RX7CYP2C9

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