SCHEMBL31621734

SCHEMBL31621734

Oc1ccc2c(ccc3ccccc32)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.53
▸ HPRT1 P00492 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ TSHR P16473 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ LMNA P02545 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ PTPN22 Q9Y2R2 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ CYP1B1 Q16678 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ GPR3 P46089 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ LDHA P00338 1/20 0.41

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
SCHEMBL6321350 0.98 CYP3A4 (0.52) CYP3A4HPRT1ALDH1A1HSD17B10CYP2A6
Benzene SCHEMBL27625550 0.78 MGAM (0.54) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL28006308 0.78 HPRT1 (0.56) CYP3A4HPRT1ALDH1A1HSD17B10CYP2A6
Phenanthrene SCHEMBL28634294 0.76 HSD17B10 (0.86) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
Benzene SCHEMBL27683014 0.76 MGAM (0.52) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL22225595 0.75 CYP3A4 (0.53) CYP3A4HPRT1ALDH1A1HSD17B10CYP2A6
SCHEMBL7058875 0.75 CYP1A2 (0.59) CYP3A4HPRT1ALDH1A1HSD17B10CYP2A6
SCHEMBL6140328 0.75 NCF1 (0.52) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL29376435 0.75 NCF1 (0.52) ALDH1A1LMNAMAPTNPC1RAB9A
SCHEMBL84064 0.75 NCF1 (0.52) ALDH1A1LMNAMAPTNPC1RAB9A

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
CN-120165072-A Trace additive-based aqueous zinc ion electrolyte and preparation method and application thereof 南昌航空大学 2025-06-17 — — CN disclosed
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