SCHEMBL31377006

SCHEMBL31377006

c1cc2cccc3c4ccc(-c5ccncc5)c5cccc(c(c1)c23)c54

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.43
▸ PIK3CD O00329 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ LMNA P02545 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ IMPDH2 P12268 2/20 0.40
▸ CYP1A2 P05177 3/20 0.39
▸ THRB P10828 1/20 0.39
▸ MAPK11 Q15759 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ CYP11B1 P15538 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ ERBB2 P04626 1/20 0.36

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
SCHEMBL15077966 0.92 PIK3CD (0.47) TNFPIK3CDMAPTALDH1A1HPGD
SCHEMBL17427669 0.87 TNF (0.44) TNFPIK3CDMAPTALDH1A1HPGD
SCHEMBL30527261 0.87 TNF (0.44) TNFPIK3CDMAPTALDH1A1HPGD
SCHEMBL13658694 0.85 RAB9A (0.40) TNFMAPTALDH1A1HPGDKDM4E
SCHEMBL27645001 0.84 ALDH1A1 (0.47) TNFPIK3CDMAPTALDH1A1HPGD
SCHEMBL13658699 0.83 KDM4E (0.42) TNFPIK3CDMAPTALDH1A1HPGD
SCHEMBL14448800 0.83 ALDH1A1 (0.50) TNFPIK3CDMAPTALDH1A1HPGD
SCHEMBL634392 0.82 ALDH1A1 (0.48) TNFMAPTALDH1A1HPGDKDM4E
SCHEMBL31388540 0.82 MAPT (0.43) TNFPIK3CDMAPTALDH1A1HPGD
SCHEMBL15077960 0.82 MAPT (0.43) TNFPIK3CDMAPTALDH1A1HPGD

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-119462762-A Chiral ring papain BinapoBox.4PF6Preparation method and application thereof 黑龙江大学 2025-02-18 — — CN disclosed
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