SCHEMBL29574103

SCHEMBL29574103

COc1ccccc1-c1cn[nH]c(=O)c1C#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.52
ALDH1A1 P00352 7/20 0.48
KDM4E B2RXH2 7/20 0.48
GAA P10253 2/20 0.48
GLA P06280 1/20 0.48
HPGD P15428 5/20 0.46
SIRT5 Q9NXA8 1/20 0.46
PDE10A Q9Y233 1/20 0.45
HSD17B10 Q99714 4/20 0.45
MAPT P10636 3/20 0.45
ALOX15 P16050 1/20 0.45
ALOX12 P18054 1/20 0.45
LMNA P02545 1/20 0.43
RECQL P46063 1/20 0.43
MDM2 Q00987 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL22717589 1.00 HTT (0.52) HTTALDH1A1KDM4EGAAGLA
SCHEMBL29574613 0.83 KCNN4 (0.41) HTTALDH1A1KDM4EGAAGLA
SCHEMBL22717428 0.83 KCNN4 (0.41) HTTALDH1A1KDM4EGAAGLA
SCHEMBL8242112 0.79 KDM4E (0.44) HTTALDH1A1KDM4EGAAGLA
SCHEMBL1227994 0.76 ATM (0.54) ALDH1A1KDM4EGAAGLAHPGD
SCHEMBL11363023 0.73 METAP2 (0.45) ALDH1A1KDM4EGAAHPGDSIRT5
SCHEMBL30697968 0.72 KMT2A (0.59) ALDH1A1KDM4EGAAHPGDSIRT5
SCHEMBL13946131 0.72 HTT (0.58) HTTALDH1A1KDM4EGAAGLA
SCHEMBL29554478 0.72 HTT (0.58) HTTALDH1A1KDM4EGAAGLA
SCHEMBL11019014 0.72 HTT (0.49) HTTALDH1A1KDM4EGAAGLA

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
EP-4688772-A1 BIARYL DERIVATIVES AND RELATED USES Moma Therapeutics, Inc. (US) 2026-02-11 EP disclosed
WO-2024211834-A1 BIARYL DERIVATIVES AND RELATED USES MOMA THERAPEUTICS, INC. (US) 2024-10-10 WO disclosed
EP-3976608-A1 THIADIAZOLYL DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2022-04-06 EP disclosed