SCHEMBL7944633

SCHEMBL7944633

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

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.44
GAA P10253 3/20 0.39
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 8/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
LMNA P02545 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ABHD6 Q9BV23 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GPR55 Q9Y2T6 1/20 0.35
USP2 O75604 1/20 0.34

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
SCHEMBL7956984 0.91 TP53 (0.41) TP53GAATSHRALOX15SMN1; SMN2
SCHEMBL7952239 0.90 TP53 (0.41) TP53GAATSHRALOX15SMN1; SMN2
SCHEMBL7957493 0.87 POLB (0.53) TP53TSHRALOX15SMN1; SMN2HSD17B10
SCHEMBL7950910 0.87 TP53 (0.44) TP53GAATSHRSMN1; SMN2MAPT
SCHEMBL7952748 0.84 ALDH1A1 (0.46) TP53TSHRALOX15SMN1; SMN2MAPT
SCHEMBL5755628 0.82 ABHD6 (0.41) GAASMN1; SMN2MAPTHPGDKMT2A
SCHEMBL5756424 0.79 KMT2A (0.36) TP53GAATSHRHSD17B10ALDH1A1
SCHEMBL7141017 0.79 ABHD6 (0.43) SMN1; SMN2MAPTHPGDKMT2AABHD6
SCHEMBL5757388 0.78 RAB9A (0.40) TP53GAASMN1; SMN2MAPTALDH1A1
SCHEMBL7950977 0.76 AGER (0.37) TP53GAAALOX15SMN1; SMN2HSD17B10

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