SCHEMBL31267166

SCHEMBL31267166

[C-]#[N+]c1cccc(C(=O)Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PARP1 P09874 4/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA6 P23280 1/20 0.32
CA9 Q16790 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
EGLN1 Q9GZT9 1/20 0.31
HSD17B10 Q99714 2/20 0.31
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
KMO O15229 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
SCHEMBL13389659 1.00 ALDH1A1 (0.46) ALDH1A1TSHRATMTDP1L3MBTL1
SCHEMBL81598 0.82 CA12 (0.52) ALDH1A1TSHRTDP1L3MBTL1CA12
SCHEMBL10439263 0.80 ALDH1A1 (0.46) ALDH1A1TDP1KMT2ACYP1A2
SCHEMBL12197388 0.80 PARP1 (0.53) TSHRTDP1L3MBTL1PARP1HSD17B10
SCHEMBL29953400 0.78 ATM (0.63) ALDH1A1ATMTDP1L3MBTL1HSD17B10
SCHEMBL12714916 0.78 ATM (0.63) ALDH1A1ATMTDP1L3MBTL1HSD17B10
SCHEMBL27510 0.78 ALDH1A1 (0.59) ALDH1A1TSHRATMTDP1L3MBTL1
SCHEMBL13389463 0.77 PARP1 (0.33) ATMTDP1L3MBTL1PARP1CA12
SCHEMBL12205536 0.76 GSK3B (0.52)
SCHEMBL2268878 0.76 TSHR (0.52) ALDH1A1TSHRCA12CA1CA2

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
CN-119391082-B High-strength stamping-resistant PP composite material and preparation method thereof 普宁市齐毫文具有限公司 2025-06-17 CN claimed
CN-119391082-A High-strength stamping-resistant PP composite material and preparation method thereof 普宁市齐毫文具有限公司 2025-02-07 CN claimed
CN-119144029-A Biodegradable environment-friendly food preservative film and manufacturing method thereof 苏州汉德瑞生物工程有限公司 2024-12-17 CN claimed