SCHEMBL902944

SCHEMBL902944

CCOOCc1ccc(-c2cnc(N(Cc3ccccc3)c3ccccc3)s2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.38
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TAAR1 Q96RJ0 2/20 0.33
USP30 Q70CQ3 2/20 0.33
BCHE P06276 2/20 0.33
CARM1 Q86X55 1/20 0.32
PRMT1 Q99873 1/20 0.32

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
SCHEMBL899302 0.83 CCNE1 (0.42) HDAC1KDM4EALDH1A1TAAR1USP30
SCHEMBL899508 0.82 HDAC1 (0.47) HDAC1KDM4EALDH1A1
SCHEMBL899366 0.81 HSD17B2 (0.46) HDAC1
SCHEMBL903025 0.81 HDAC1 (0.40) HDAC1KDM4EALDH1A1
SCHEMBL899084 0.80 KCNH2 (0.38) HDAC1KDM4EALDH1A1
SCHEMBL10045592 0.72 ALDH1A1 (0.39) KDM4EALDH1A1TAAR1
SCHEMBL899467 0.72 ALDH1A1 (0.44) KDM4EALDH1A1
SCHEMBL899484 0.71 ALDH1A1 (0.38) KDM4EALDH1A1
SCHEMBL899268 0.68 KCNA3 (0.37) KDM4EALDH1A1TAAR1
SCHEMBL10045107 0.67 LIMK1 (0.39) KDM4EALDH1A1TAAR1

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-2012040754-A2 NOVEL THIAZOLAMINE DERIVATES AS DIFFERENTIATION ACCELERATORS TECHNISCHE UNIVERSITÄT WIEN (AT) 2012-04-05 WO disclosed