SCHEMBL460815

SCHEMBL460815

Nc1ccc(C2CC2(F)C(F)(F)F)c(-n2cnnn2)c1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
NOTUM Q6P988 4/20 0.36
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL433126 1.00 ALDH1A1 (0.45) ALDH1A1NOTUMKMT2AKDM4ETSHR
SCHEMBL1740735 0.75 ALDH1A1 (0.55) ALDH1A1NOTUMKMT2AKDM4ETSHR
SCHEMBL28425870 0.69 ALDH1A1 (0.60) ALDH1A1NOTUMKMT2AKDM4ETSHR
SCHEMBL22637403 0.66 ALDH1A1 (0.56) ALDH1A1NOTUMKMT2AKDM4ETSHR
SCHEMBL430921 0.64 ALDH1A1 (0.61) ALDH1A1NOTUMKMT2AKDM4ETSHR
SCHEMBL14778436 0.63 ALDH1A1 (0.60) ALDH1A1NOTUMKMT2AKDM4ETSHR
SCHEMBL22636958 0.63 ALDH1A1 (0.56) ALDH1A1NOTUMKMT2AKDM4ETSHR
SCHEMBL431148 0.63 ALDH1A1 (0.43) ALDH1A1NOTUMKMT2AKDM4ETSHR
SCHEMBL10199133 0.61 NOTUM (0.33) ALDH1A1NOTUM
SCHEMBL430561 0.60 ALDH1A1 (0.43) ALDH1A1NOTUMKMT2AKDM4ETSHR

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
EP-2595982-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF Rigel Pharmaceuticals, Inc. (US) 2013-05-29 EP disclosed
WO-2012012619-A1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed