SCHEMBL7952239

SCHEMBL7952239

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
KMT2A Q03164 3/20 0.40
GAA P10253 3/20 0.38
TSHR P16473 2/20 0.38
ALOX15 P16050 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 6/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
CHEK1 O14757 1/20 0.38
KDM4E B2RXH2 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
ABHD6 Q9BV23 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 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
SCHEMBL7944633 0.90 TP53 (0.44) TP53KMT2AGAATSHRALOX15
SCHEMBL5756424 0.90 KMT2A (0.36) TP53KMT2AGAATSHRHSD17B10
SCHEMBL7956984 0.89 TP53 (0.41) TP53KMT2AGAATSHRALOX15
SCHEMBL7950910 0.86 TP53 (0.44) TP53GAATSHRSMN1; SMN2MAPT
SCHEMBL7957493 0.86 POLB (0.53) TP53KMT2ATSHRALOX15SMN1; SMN2
SCHEMBL7952748 0.83 ALDH1A1 (0.46) TP53KMT2ATSHRALOX15SMN1; SMN2
SCHEMBL5755628 0.80 ABHD6 (0.41) KMT2AGAASMN1; SMN2MAPTHPGD
SCHEMBL7141017 0.77 ABHD6 (0.43) KMT2ASMN1; SMN2MAPTHPGDKDM4E
SCHEMBL5757388 0.77 RAB9A (0.40) TP53GAASMN1; SMN2MAPTALDH1A1
SCHEMBL7950977 0.75 AGER (0.37) TP53KMT2AGAAALOX15SMN1; SMN2

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