SCHEMBL31419174

SCHEMBL31419174

COC(=O)c1ccc2nc(N)c(C3CC3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ GRM1 Q13255 1/20 0.46
▸ RAB9A P51151 6/20 0.44
▸ NPC1 O15118 5/20 0.44
▸ HSP90AA1 P07900 1/20 0.44
▸ RPS6KB1 P23443 1/20 0.43
▸ KDM4E B2RXH2 7/20 0.42
▸ ALDH1A1 P00352 6/20 0.42
▸ MAPT P10636 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ HSD17B10 Q99714 3/20 0.42
▸ CASP1 P29466 2/20 0.42
▸ CASP7 P55210 2/20 0.42
▸ ATM Q13315 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ ILK Q13418 1/20 0.41
▸ TLR7 Q9NYK1 3/20 0.40
▸ TLR8 Q9NR97 2/20 0.40

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
SCHEMBL30886215 0.83 GRM1 (0.42) GRM1RAB9ANPC1HSP90AA1KDM4E
Lithium Ion SCHEMBL31419069 0.81 HIPK2 (0.49) GRM1
SCHEMBL23756982 0.79 HTT (0.52) HTTALOX15GRM1RAB9ANPC1
SCHEMBL30514939 0.79 HTT (0.52) HTTALOX15GRM1RAB9ANPC1
SCHEMBL29875621 0.78 HTT (0.51) HTTALOX15GRM1RAB9ANPC1
SCHEMBL23756763 0.78 HTT (0.51) HTTALOX15GRM1RAB9ANPC1
SCHEMBL23757853 0.78 HTT (0.51) HTTALOX15GRM1RAB9ANPC1
SCHEMBL23774957 0.78 HTT (0.51) HTTALOX15GRM1RAB9ANPC1
SCHEMBL31419169 0.77 PLK1 (0.40) HTTALOX15GRM1RAB9AALDH1A1
SCHEMBL19899909 0.76 KDM4E (0.54) ALOX15RAB9ANPC1KDM4EALDH1A1

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
EP-4745134-A1 PROTEIN ARGINASE METHYLTRANSFERASE-5 INHIBITOR AND MEDICAL USE THEREOF Jiangsu Yahong Meditech Co., Ltd. (CN) 2026-05-20 — — EP disclosed
WO-2025016323-A1 PROTEIN ARGINASE METHYLTRANSFERASE-5 INHIBITOR AND MEDICAL USE THEREOF 江苏亚虹医药科技股份有限公司 2025-01-23 — — WO disclosed
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