SCHEMBL16486369

SCHEMBL16486369

CCOc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)cc2)cc1

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.86
POLB P06746 3/20 0.68
MEN1 O00255 1/20 0.66
GAA P10253 1/20 0.66
KMT2A Q03164 1/20 0.66
MAPT P10636 4/20 0.64
KDM4C Q9H3R0 1/20 0.64
PTK2 Q05397 1/20 0.64
CYP3A4 P08684 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
CYP2D6 P10635 1/20 0.62
TSHR P16473 2/20 0.61
ALOX15 P16050 1/20 0.61
HSD17B10 Q99714 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
LMNA P02545 2/20 0.61
SMN1; SMN2 Q16637 1/20 0.60
ALDH1A1 P00352 1/20 0.60
HTT P42858 1/20 0.59

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
SCHEMBL16790694 0.93 TP53 (1.00) TP53POLBMEN1KMT2AMAPT
SCHEMBL11919993 0.91 KMT2A (0.77) TP53POLBMEN1GAAKMT2A
SCHEMBL16486900 0.91 SMN1; SMN2 (0.74) TP53POLBMEN1GAAKMT2A
SCHEMBL16486486 0.84 TP53 (0.72) TP53POLBMEN1KMT2AMAPT
SCHEMBL15606897 0.83 TP53 (0.83) TP53POLBMEN1GAAKMT2A
SCHEMBL15606898 0.83 TP53 (0.83) TP53POLBMEN1KMT2AMAPT
SCHEMBL16486439 0.83 POLB (0.80) TP53POLBMEN1KMT2AMAPT
SCHEMBL15606900 0.78 POLB (1.00) TP53POLBMEN1GAAKMT2A
SCHEMBL13831342 0.78 MAPT (0.75) TP53POLBMAPTPTK2TSHR
SCHEMBL15986410 0.77 POLB (0.78) TP53POLBMEN1GAAKMT2A

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-2015021943-A9 INDUCING NEUROGENESIS BY AXIN ENHANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-12-30 WO disclosed
WO-2015021943-A1 INDUCING NEUROGENESIS BY AXIN ENHANCER THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2015-02-19 WO disclosed