SCHEMBL7806006

SCHEMBL7806006

CCc1c(C)nn(Cl)c1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.34
GAA P10253 3/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
USP2 O75604 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
PTGDR2 Q9Y5Y4 2/20 0.30
RXRA P19793 1/20 0.30
NR4A2 P43354 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
SCHEMBL31000970 0.70 KDM4E (0.35) NPC1GAAPOLBKDM4EALDH1A1
SCHEMBL31467458 0.66 ALDH1A1 (0.44) GAAPOLBKMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL11559781 0.65 TSHR (0.38) NPC1GAAKDM4EALDH1A1MAPT
SCHEMBL11559777 0.65 TSHR (0.38) NPC1GAAALDH1A1RAB9A
SCHEMBL19007302 0.64 ALDH1A1 (0.65) GAAALDH1A1PTGDR2
SCHEMBL21753597 0.64 KDM4E (0.45) NPC1GAAPOLBMEN1KMT2A
SCHEMBL4485756 0.64 NPC1 (0.53) NPC1KMT2AKDM4EALDH1A1MAPT
SCHEMBL17382016 0.63 LMNA (0.46) NPC1GAAPOLBALDH1A1MAPT
SCHEMBL28895524 0.63 USP2 (0.54) NPC1POLBMEN1KMT2AMAPT
SCHEMBL17917631 0.63 ALDH1A1 (0.48) NPC1GAAPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1007042-A4 NOVEL HETEROARYL COMPOUNDS FOR THE MODULATION OF PROTEIN TYROSINE ENZYME RELATED CELLULAR SIGNAL TRANSDUCTION SUGEN INC (US) 2001-07-04 EP disclosed
EP-1007042-A1 NOVEL HETEROARYL COMPOUNDS FOR THE MODULATION OF PROTEIN TYROSINE ENZYME RELATED CELLULAR SIGNAL TRANSDUCTION Sugen, Inc. (US) 2000-06-14 EP disclosed
WO-1998056376-A1 NOVEL HETEROARYL COMPOUNDS FOR THE MODULATION OF PROTEIN TYROSINE ENZYME RELATED CELLULAR SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-12-17 WO disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed