SCHEMBL18173885

SCHEMBL18173885

COc1ccc(NC(=O)C(N)CC(F)(F)F)c(C(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HPGD P15428 2/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
GAA P10253 2/20 0.42
HSD17B10 Q99714 1/20 0.41
KCNK2 O95069 1/20 0.41
HTT P42858 1/20 0.41
THRB P10828 1/20 0.40
TSHR P16473 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
SCHEMBL18173884 1.00 POLB (0.50) POLBMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL17165500 0.87 POLB (0.54) POLBMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL17165501 0.87 POLB (0.54) POLBMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL18173886 0.82 PPARG (0.44) POLBMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL18173887 0.82 PPARG (0.44) POLBMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL24155332 0.79 POLB (0.52) POLBMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL21129671 0.78 CYP1A2 (0.62) POLBMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL17165499 0.78 POLB (0.64) POLBMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL15984874 0.76 POLB (0.46) POLBMAPTSMN1; SMN2ALDH1A1CYP1A2
SCHEMBL19481187 0.74 ALDH1A1 (0.57) POLBMAPTSMN1; SMN2ALDH1A1CYP1A2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016171470-A1 BROMODOMAIN-INHIBITING COMPOUNDS AND METHODS TO PREVENT OR TREAT A CANCER KAINOS MEDICINE, INC. (KR) 2016-10-27 WO disclosed