SCHEMBL31497455

SCHEMBL31497455

N#Cc1ccc(CCNC2CCCc3c2[nH]c2ccccc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RB1 P06400 7/20 0.52
▸ CDC42 P60953 1/20 0.49
▸ GAA P10253 1/20 0.46
▸ CASP6 P55212 1/20 0.46
▸ BRD3 Q15059 4/20 0.45
▸ PRMT5 O14744 2/20 0.43
▸ GRIN2B Q13224 1/20 0.41
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ SIRT1 Q96EB6 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
SCHEMBL4192405 0.88 RB1 (0.60) RB1CDC42GAACASP6BRD3
Hydrochloric Acid SCHEMBL4157308 0.87 RB1 (0.60) RB1CDC42GAACASP6BRD3
SCHEMBL31497427 0.86 RB1 (0.55) RB1CDC42GAACASP6BRD3
SCHEMBL31497396 0.86 CDC42 (0.57) RB1CDC42GAACASP6BRD3
SCHEMBL31497401 0.83 RB1 (0.52) RB1CDC42GAACASP6BRD3
SCHEMBL31497468 0.83 RB1 (0.52) RB1CDC42GAACASP6BRD3
SCHEMBL31497362 0.82 CDC42 (0.53) RB1CDC42GAACASP6BRD3
SCHEMBL31497389 0.81 SIRT1 (0.53) RB1CDC42GAACASP6BRD3
SCHEMBL28489487 0.80 PRMT5 (0.59) RB1CDC42GAACASP6BRD3
SCHEMBL15450584 0.79 RB1 (0.57) RB1CDC42BRD3SIRT2SIRT1

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-119490487-A Polysubstituted tetrahydrocarbazole compound, preparation method, pharmaceutical composition and application thereof 中国科学院上海药物研究所 2025-02-21 — — CN disclosed
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