SCHEMBL7944067

SCHEMBL7944067

Oc1ccc(Cl)cc1-n1cncc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.46
HSP90AB1 P08238 2/20 0.46
MARS1 P56192 1/20 0.43
IDO1 P14902 3/20 0.43
DYRK1A Q13627 1/20 0.40
DYRK2 Q92630 1/20 0.40
TMPRSS4 Q9NRS4 2/20 0.40
P2RX1 P51575 2/20 0.40
P2RX4 Q99571 1/20 0.40
P2RX7 Q99572 1/20 0.40
CYP19A1 P11511 2/20 0.39
CYP3A4 P08684 1/20 0.36
CYP3A5 P20815 1/20 0.36
CHRNA7 P36544 1/20 0.36
GPBAR1 Q8TDU6 2/20 0.35
KIF11 P52732 2/20 0.35

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
SCHEMBL7952738 0.81 IDO1 (0.39) HSP90AA1HSP90AB1MARS1IDO1DYRK1A
SCHEMBL5753874 0.76 IDO1 (0.41) MARS1IDO1DYRK1ADYRK2TMPRSS4
SCHEMBL7954690 0.72 ALDH1A1 (0.46) HSP90AA1MARS1TMPRSS4P2RX1P2RX4
SCHEMBL8389156 0.72 TMPRSS4 (0.40) MARS1IDO1TMPRSS4P2RX1P2RX4
SCHEMBL14906370 0.71 GPBAR1 (0.40) HSP90AA1HSP90AB1CYP19A1GPBAR1
SCHEMBL5756850 0.70 CYP11B1 (0.47) MARS1IDO1P2RX7CYP3A4GPBAR1
SCHEMBL5753619 0.70 TMPRSS4 (0.38) HSP90AA1MARS1IDO1TMPRSS4P2RX1
SCHEMBL5754999 0.68 GFER (0.51)
SCHEMBL7954476 0.68 HSP90AA1 (0.44) HSP90AA1MARS1TMPRSS4P2RX1P2RX4
SCHEMBL5754955 0.68 COMT (0.44) HSP90AA1MARS1TMPRSS4P2RX1P2RX4

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 4 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 claimed
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