SCHEMBL7943968

SCHEMBL7943968

COc1ccc(Cl)cc1CC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.63
KCNJ5 P48544 1/20 0.57
KCNJ3 P48549 1/20 0.57
ANO1 Q5XXA6 3/20 0.56
KMT2A Q03164 5/20 0.53
RHOC P08134 1/20 0.50
RHOA P61586 1/20 0.50
CSNK1D P48730 1/20 0.49
MEN1 O00255 4/20 0.49
LMNA P02545 3/20 0.49
GAA P10253 2/20 0.49
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
P2RX4 Q99571 2/20 0.48
P2RX1 P51575 1/20 0.48
P2RX7 Q99572 1/20 0.48
TMPRSS4 Q9NRS4 1/20 0.48
KDM4E B2RXH2 1/20 0.47
RECQL P46063 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL8370287 0.87 SMN1; SMN2 (0.64) KCNJ5KCNJ3ANO1KMT2AMEN1
SCHEMBL20921388 0.85 TMPRSS4 (0.52) PPARAANO1KMT2ACSNK1DMEN1
SCHEMBL6503306 0.84 PPARA (0.61) PPARAKCNJ5KCNJ3ANO1KMT2A
SCHEMBL6496067 0.83 KCNJ5 (0.66) PPARAKCNJ5KCNJ3ANO1KMT2A
SCHEMBL22775844 0.80 ANO1 (0.57) ANO1KMT2AMEN1LMNAGAA
SCHEMBL29431308 0.80 ANO1 (0.57) ANO1KMT2AMEN1LMNAGAA
SCHEMBL21198750 0.79 GAA (0.56) ANO1KMT2AMEN1LMNAGAA
SCHEMBL31306676 0.79 GAA (0.56) ANO1KMT2AMEN1LMNAGAA
SCHEMBL5757242 0.79 ALDH1A1 (0.72) PPARAKMT2AMEN1LMNAGAA
SCHEMBL5756055 0.79 PPARA (0.66) PPARAKMT2AMEN1LMNAGAA

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