SCHEMBL7956984

SCHEMBL7956984

COc1cc(NC(C)=O)c(Cl)cc1Cn1nc(-c2ccc(C(F)(F)F)cc2)oc1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
MAPT P10636 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
ABHD6 Q9BV23 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 4/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL7944633 0.91 TP53 (0.44) TP53MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7952239 0.89 TP53 (0.41) TP53MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL5757388 0.88 RAB9A (0.40) TP53MAPTGAASMN1; SMN2ALDH1A1
SCHEMBL7957493 0.86 POLB (0.53) TP53MAPTCYP1A2CYP2C19CYP3A4
SCHEMBL7950910 0.86 TP53 (0.44) TP53MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7950977 0.86 AGER (0.37) TP53MAPTGAAALOX15SMN1; SMN2
SCHEMBL7952081 0.84 RAB9A (0.41) TP53MAPTGAAALOX15SMN1; SMN2
SCHEMBL5755628 0.84 ABHD6 (0.41) MAPTABHD6GAASMN1; SMN2KMT2A
SCHEMBL7952748 0.83 ALDH1A1 (0.46) TP53MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL7141017 0.81 ABHD6 (0.43) MAPTABHD6SMN1; SMN2KMT2AHPGD

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