SCHEMBL15534101

SCHEMBL15534101

Oc1ccc(-c2cc(Nc3cccc(C(F)(F)F)n3)ncn2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.47
ABL1 P00519 9/20 0.43
BCR P11274 8/20 0.43
JAK2 O60674 1/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
FAAH O00519 3/20 0.39

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
Bromide SCHEMBL15534396 0.99 TRPV1 (0.47) TRPV1ABL1BCRJAK2MAPT
Hydrochloric Acid SCHEMBL15533549 0.99 TRPV1 (0.47) TRPV1ABL1BCRJAK2MAPT
Sulfuric Acid SCHEMBL15533134 0.94 ABL1 (0.47) TRPV1ABL1BCRJAK2MAPT
SCHEMBL15534503 0.93 ABL1 (0.48) TRPV1ABL1BCRJAK2TAS2R14
SCHEMBL15533761 0.91 ABL1 (0.44) TRPV1ABL1BCRJAK2MAPT
SCHEMBL15534267 0.89 TRPV1 (0.56) TRPV1ABL1BCRJAK2MAPT
SCHEMBL15534109 0.87 ABL1 (0.42) TRPV1ABL1BCRJAK2MAPT
SCHEMBL15533815 0.86 TRPV1 (0.48) TRPV1ABL1BCRJAK2MAPT
SCHEMBL15533228 0.85 ABL1 (0.44) TRPV1ABL1BCRJAK2MAPT
SCHEMBL15534259 0.85 TRPV1 (0.57) TRPV1ABL1BCRFAAH

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