SCHEMBL15533762

SCHEMBL15533762

O=S(=O)(Oc1cc(-c2cc(Nc3cccc(C(F)(F)F)n3)ncn2)ccc1O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.44
BCR P11274 7/20 0.44
TAS2R14 Q9NYV8 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
KMO O15229 1/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
JAK2 O60674 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
FAAH O00519 3/20 0.37
METAP2 P50579 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
SCHEMBL15534205 0.93 ABL1 (0.41) ABL1BCRTRPV1CCNT1CDK9
SCHEMBL15534505 0.90 ABL1 (0.46) ABL1BCRTRPV1USP2CYP1A2
SCHEMBL15533761 0.85 ABL1 (0.44) ABL1BCRTAS2R14TRPV1KMO
Sulfuric Acid SCHEMBL15533134 0.84 ABL1 (0.47) ABL1BCRTAS2R14TRPV1KMO
SCHEMBL15534503 0.83 ABL1 (0.48) ABL1BCRTAS2R14TRPV1KMO
SCHEMBL15534101 0.83 TRPV1 (0.47) ABL1BCRTAS2R14TRPV1JAK2
SCHEMBL15534290 0.82 ABL1 (0.46) ABL1BCRTAS2R14TRPV1USP2
Hydrochloric Acid SCHEMBL15533549 0.82 TRPV1 (0.47) ABL1BCRTAS2R14TRPV1JAK2
Bromide SCHEMBL15534396 0.82 TRPV1 (0.47) ABL1BCRTAS2R14TRPV1JAK2
SCHEMBL15533871 0.78 TP53 (0.51) ABL1BCRTAS2R14TRPV1USP2

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-2013175415-A1 SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF Piramal Enterprises Limited (IN) 2013-11-28 WO claimed