SCHEMBL31058801

SCHEMBL31058801

c1ccc(CCSCCCSCCc2ccccn2)nc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.55
▸ MAPK1 P28482 1/20 0.55
▸ HRH1 P35367 2/20 0.53
▸ TP53 P04637 1/20 0.50
▸ ALDH1A1 P00352 6/20 0.49
▸ PKM P14618 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ HRH3 Q9Y5N1 1/20 0.48
▸ LMNA P02545 3/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47
▸ ALOX15 P16050 1/20 0.47

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
SCHEMBL31058797 1.00 HTT (0.55) HTTMAPK1HRH1TP53ALDH1A1
SCHEMBL30732407 0.98 HTT (0.54) HTTMAPK1HRH1TP53ALDH1A1
SCHEMBL31058794 0.96 HTT (0.55) HTTMAPK1HRH1TP53ALDH1A1
SCHEMBL21427814 0.96 HTT (0.55) HTTMAPK1HRH1TP53ALDH1A1
SCHEMBL30732373 0.94 HRH1 (0.55) HTTMAPK1HRH1TP53ALDH1A1
SCHEMBL21408471 0.94 HRH1 (0.55) HTTMAPK1HRH1TP53ALDH1A1
SCHEMBL29595035 0.92 HTT (0.58) HTTMAPK1HRH1TP53ALDH1A1
SCHEMBL1825837 0.92 HTT (0.58) HTTMAPK1HRH1TP53ALDH1A1
SCHEMBL28480685 0.91 HTT (0.49) HTTMAPK1HRH1TP53ALDH1A1
SCHEMBL28482442 0.90 HTT (0.48) HTTMAPK1HRH1TP53ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3775325-B1 COMPOSITION FOR TIN-SILVER ALLOY ELECTROPLATING COMPRISING A COMPLEXING AGENT BASF SE (DE) 2024-08-28 — — EP claimed
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