SCHEMBL24814724

SCHEMBL24814724

Brc1cccc2c1CCCN2c1nc2nncn2c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 7/20 0.39
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
ESR1 P03372 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RET P07949 1/20 0.31
GAA P10253 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL30047462 1.00 STAT3 (0.45) STAT3KMT2AMAPTHPGDHSD17B10
SCHEMBL30146511 0.87 STAT3 (0.38) STAT3KMT2AMAPTSMN1; SMN2POLB
SCHEMBL29909809 0.86 MAPT (0.38) STAT3KMT2AMAPTHPGDHSD17B10
SCHEMBL23576783 0.86 MAPT (0.38) STAT3KMT2AMAPTHPGDHSD17B10
SCHEMBL24806290 0.85 KMT2A (0.42) STAT3KMT2AMAPTHPGDHSD17B10
SCHEMBL30146450 0.85 KMT2A (0.42) STAT3KMT2AMAPTHPGDHSD17B10
SCHEMBL30047664 0.85 MAPT (0.43) STAT3KMT2AMAPTHPGDHSD17B10
SCHEMBL23601720 0.84 KMT2A (0.63) STAT3KMT2AMAPTHPGDHSD17B10
SCHEMBL30979080 0.84 KMT2A (0.63) STAT3KMT2AMAPTHPGDHSD17B10
SCHEMBL23577278 0.83 MAPT (0.39) STAT3KMT2AMAPTHPGDHSD17B10

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-117355531-A Diacylglycerol kinase modulating compounds 吉利德科学公司 2024-01-05 CN disclosed
WO-2022271684-A1 DIACYLGLYERCOL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2022-12-29 WO disclosed