SCHEMBL28017683

SCHEMBL28017683

c1cnc2cc(-c3cc4ncccc4s3)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.43
KDM4E B2RXH2 7/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 5/20 0.41
MAPT P10636 3/20 0.41
GLA P06280 1/20 0.41
ALDH1A1 P00352 7/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
CYP19A1 P11511 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2C Q14957 1/20 0.40
POLB P06746 2/20 0.39
CASP1 P29466 2/20 0.36
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL7845853 0.90 CYP19A1 (0.44) ALOX5KDM4ENPC1RAB9AMAPT
SCHEMBL31324900 0.90 CYP19A1 (0.44) ALOX5KDM4ENPC1RAB9AMAPT
SCHEMBL4824051 0.86 IKBKB (0.46) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL31324889 0.86 NPC1 (0.47) ALOX5KDM4ENPC1RAB9ACYP19A1
SCHEMBL29987215 0.85 IKBKB (0.45) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL29022729 0.82 NPC1 (0.46) ALOX5KDM4ENPC1RAB9AMAPT
SCHEMBL3753723 0.82 RAB9A (0.60) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL27852488 0.82 ALOX5 (0.36) ALOX5KDM4ENPC1RAB9AMAPT
SCHEMBL29894537 0.80 ALOX5 (0.38) ALOX5KDM4ENPC1RAB9AMAPT
SCHEMBL1479681 0.80 ALOX5 (0.42) ALOX5KDM4ENPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023241640-A1 SMALL MOLECULE INHIBITOR TARGETING DEUBIQUITINATING ENZYMES USP25 AND USP28 深圳湾实验室 2023-12-21 WO disclosed
CN-115246842-A Small molecule inhibitors targeting deubiquitinases USP25 and USP28 深圳湾实验室 2022-10-28 CN disclosed
CN-109369891-B Polymers containing basic groups and their use 广州华睿光电材料有限公司 2021-03-19 CN disclosed
CN-105017279-A Bithienopyridine derivative and preparation method thereof BEIJING INST TECHNOLOGY 2015-11-04 CN disclosed
CN-105017279-A Bithienopyridine derivative and preparation method thereof BEIJING INST TECHNOLOGY 2015-11-04 CN disclosed