SCHEMBL31243103

SCHEMBL31243103

Nc1cccc(S)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ ADORA2A P29274 2/20 0.42
▸ PTPRC P08575 1/20 0.42
▸ CYP3A4 P08684 4/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAOA P21397 2/20 0.38
▸ MAPT P10636 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ FGR P09769 1/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ CSNK1A1 P48729 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37

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
SCHEMBL5841832 1.00 ALDH1A1 (0.44) ALDH1A1HSD17B10ADORA2APTPRCCYP3A4
SCHEMBL5754263 0.83 ALDH1A1 (0.55) ALDH1A1HSD17B10ADORA2APTPRCCYP3A4
SCHEMBL28040437 0.77 FABP4 (0.42) CYP3A4CASP1SMN1; SMN2MAOAMAPT
SCHEMBL5089544 0.77 EGLN2 (0.33) ADORA2APTPRCKEAP1
SCHEMBL28991311 0.76 MAOA (0.38) ALDH1A1HSD17B10CYP3A4ALOX15SMN1; SMN2
SCHEMBL29546125 0.75 HSD17B10 (0.50) ALDH1A1HSD17B10ADORA2ACYP3A4ALOX15
SCHEMBL25014 0.75 HSD17B10 (0.50) ALDH1A1HSD17B10ADORA2ACYP3A4ALOX15
SCHEMBL4669356 0.74 ALDH1A1 (0.41) ALDH1A1HSD17B10ADORA2AMAPTTDP1
SCHEMBL3793739 0.74 CYP3A4 (0.54) ALDH1A1HSD17B10ADORA2APTPRCCYP3A4
SCHEMBL140573 0.74 ALDH1A1 (0.65) ALDH1A1HSD17B10ADORA2APTPRCCYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119710572-A AlCrTiXN coating for cutting titanium alloy and production process 东莞市普拉提纳米科技有限公司 2025-03-28 — — CN disclosed
CN-119192606-A Preparation method of hyperbranched cardanol-based self-plasticizing polyvinyl chloride 中国林业科学研究院林产化学工业研究所 2024-12-27 — — CN disclosed
CN-119192606-A Preparation method of hyperbranched cardanol-based self-plasticizing polyvinyl chloride 中国林业科学研究院林产化学工业研究所 2024-12-27 — — CN disclosed
CN-119060728-A Quantum dot with stability enhanced by mercapto aromatic ligand and preparation method thereof 华中科技大学 2024-12-03 — — CN disclosed
Send feedback