SCHEMBL7950909

SCHEMBL7950909

O=c1[nH]nc(-c2cc(Cl)ccc2O)n1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 1/20 0.44
P2RX4 Q99571 1/20 0.44
P2RX7 Q99572 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
KMT2A Q03164 1/20 0.43
CYP1A2 P05177 2/20 0.42
HSP90AA1 P07900 7/20 0.41
HSP90AB1 P08238 3/20 0.41
CYP2C9 P11712 3/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
POLB P06746 1/20 0.40
BIRC5 O15392 1/20 0.40
HSP90B1 P14625 1/20 0.39
TRAP1 Q12931 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
SCHEMBL7950922 0.83 CYP2C9 (0.47) KMT2ACYP1A2CYP2C9POLB
SCHEMBL5753004 0.82 ALDH1A1 (0.45) P2RX1P2RX4P2RX7TMPRSS4KMT2A
SCHEMBL7954476 0.79 HSP90AA1 (0.44) P2RX1P2RX4P2RX7TMPRSS4KMT2A
SCHEMBL5755422 0.74 HSP90AA1 (0.41) P2RX1P2RX4P2RX7TMPRSS4KMT2A
SCHEMBL7954586 0.74 ATM (0.48) P2RX1P2RX4P2RX7TMPRSS4KMT2A
SCHEMBL5756138 0.73 TMPRSS4 (0.45) P2RX1P2RX4P2RX7TMPRSS4KMT2A
SCHEMBL5756223 0.72 CYP1A2 (0.48) P2RX1P2RX4P2RX7TMPRSS4KMT2A
SCHEMBL5754911 0.72 HSP90AA1 (0.41) P2RX1P2RX4P2RX7TMPRSS4KMT2A
SCHEMBL5905952 0.71 CYP1A2 (0.69) CYP1A2CYP2C9POLB
SCHEMBL7944370 0.71 HSP90AA1 (0.53) KMT2ACYP1A2HSP90AA1CYP2C9CYP3A4

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