SCHEMBL24936715

SCHEMBL24936715

O=C(Nc1nc(-c2ccccn2)cs1)c1cccn1Cc1ccncc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.66
HTT P42858 7/20 0.66
LMNA P02545 6/20 0.66
KMT2A Q03164 6/20 0.66
ALDH1A1 P00352 5/20 0.66
L3MBTL1 Q9Y468 5/20 0.66
MEN1 O00255 5/20 0.66
POLB P06746 2/20 0.66
NPC1 O15118 2/20 0.66
RAB9A P51151 2/20 0.66
TP53 P04637 1/20 0.66
HPGD P15428 1/20 0.66
TSHR P16473 1/20 0.66
MAPK1 P28482 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
HSD17B10 Q99714 1/20 0.66
ADORA3 P0DMS8 7/20 0.57
KDM4A O75164 1/20 0.57
KDM4B O94953 1/20 0.57
KDM5B Q9UGL1 1/20 0.57

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
SCHEMBL30152048 1.00 KDM4E (0.66) KDM4EHTTLMNAKMT2AALDH1A1
SCHEMBL24435148 0.88 PARP1 (0.61) HTTLMNAKMT2AMEN1POLB
SCHEMBL24435099 0.84 NPC1 (0.46) KDM4EHTTLMNAKMT2AALDH1A1
SCHEMBL26246054 0.84 HTT (0.46) KDM4EHTTLMNAKMT2AALDH1A1
SCHEMBL24435150 0.84 PDE5A (0.47) KDM4EHTTLMNAKMT2AALDH1A1
SCHEMBL26245985 0.84 PDE5A (0.47) KDM4EHTTLMNAKMT2AALDH1A1
SCHEMBL24435112 0.83 NPC1 (0.46) KDM4EHTTLMNAKMT2AALDH1A1
SCHEMBL24434923 0.83 RAB9A (0.46) KDM4EHTTLMNAKMT2AALDH1A1
SCHEMBL24435418 0.83 RAB9A (0.46) KDM4EHTTLMNAKMT2AALDH1A1
SCHEMBL24434838 0.83 RAB9A (0.46) KDM4EHTTLMNAKMT2AALDH1A1

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
CN-117999256-A Protein secretion inhibitor 分子门生物科技公司 2024-05-07 CN disclosed
WO-2023010051-A1 PROTEIN SECRETION INHIBITORS GATE BIOSCIENCE, INC. (US) 2023-02-02 WO disclosed