SCHEMBL899302

SCHEMBL899302

c1ccc(CN(c2ccccc2)c2ncc(-c3ccccc3)s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
CDK5 Q00535 1/20 0.42
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HTR7 P34969 1/20 0.40
KDR P35968 5/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
USP30 Q70CQ3 1/20 0.38
HDAC1 Q13547 1/20 0.37
GSTO1 P78417 1/20 0.37
KCNA3 P22001 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
NR3C2 P08235 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
NFKB1 P19838 1/20 0.35

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
SCHEMBL899084 0.90 KCNH2 (0.38) CCNE1CDK2CDK5KDM4EALDH1A1
SCHEMBL899508 0.90 HDAC1 (0.47) CCNE1CDK2CDK5KDM4EALDH1A1
SCHEMBL903025 0.89 HDAC1 (0.40) CCNE1CDK2CDK5KDM4EALDH1A1
SCHEMBL899366 0.87 HSD17B2 (0.46) HDAC1NPC1LMNARAB9A
SCHEMBL899467 0.85 ALDH1A1 (0.44) KDM4EALDH1A1NPC1LMNARAB9A
SCHEMBL902944 0.83 HDAC1 (0.38) KDM4EALDH1A1USP30HDAC1TAAR1
SCHEMBL899484 0.83 ALDH1A1 (0.38) KDM4EALDH1A1KCNA3NPC1LMNA
SCHEMBL10045592 0.82 ALDH1A1 (0.39) KDM4EALDH1A1KCNA3TAAR1NR3C2
SCHEMBL899268 0.80 KCNA3 (0.37) KDM4EALDH1A1KCNA3TAAR1NR3C2
SCHEMBL10045107 0.78 LIMK1 (0.39) KDM4EALDH1A1KCNA3TAAR1

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