SCHEMBL7952303

SCHEMBL7952303

COc1ccc(C(F)(F)F)cc1-n1c(-c2ccc(C(F)(F)F)cc2)n[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 6/20 0.46
HPGD P15428 4/20 0.46
CYP2C9 P11712 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 2/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
HIF1A Q16665 1/20 0.42
TACR3 P29371 1/20 0.42
CACNA1D Q01668 1/20 0.42
NR1I2 O75469 1/20 0.41
POLB P06746 1/20 0.40
BCAT1 P54687 1/20 0.40

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
SCHEMBL7952036 0.91 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTCYP1A2ALDH1A1
SCHEMBL5757289 0.82 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTCYP1A2ALDH1A1
SCHEMBL5755396 0.82 CYP1A2 (0.50) SMN1; SMN2LMNAHTTCYP1A2ALDH1A1
SCHEMBL7944370 0.81 HSP90AA1 (0.53) SMN1; SMN2LMNAHTTCYP1A2CYP2C9
SCHEMBL5755896 0.77 SMN1; SMN2 (0.62) SMN1; SMN2LMNAHTTALDH1A1HPGD
SCHEMBL8385492 0.74 TNKS (0.46) HIF1ATACR3NR1I2POLB
SCHEMBL7954476 0.73 HSP90AA1 (0.44) CYP1A2CYP2C9CYP3A4CYP2C19MAPT
SCHEMBL7950922 0.73 CYP2C9 (0.47) SMN1; SMN2LMNAHTTCYP1A2ALDH1A1
SCHEMBL7944037 0.73 LMNA (0.39) SMN1; SMN2LMNAHTTCYP1A2ALDH1A1
SCHEMBL8657124 0.72 HSP90AA1 (0.67) LMNACYP1A2ALDH1A1HPGDCYP2C9

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