SCHEMBL31497396

SCHEMBL31497396

OCc1ccc(CCNC2CCCc3c2[nH]c2ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDC42 P60953 1/20 0.57
RB1 P06400 7/20 0.55
GAA P10253 1/20 0.54
CASP6 P55212 1/20 0.54
BRD3 Q15059 4/20 0.51
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
PRMT5 O14744 2/20 0.45
GRIN2B Q13224 1/20 0.43
CYP2D6 P10635 1/20 0.42

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
SCHEMBL31497427 0.91 RB1 (0.55) CDC42RB1GAACASP6BRD3
SCHEMBL4192405 0.91 RB1 (0.60) CDC42RB1GAACASP6BRD3
Hydrochloric Acid SCHEMBL4157308 0.90 RB1 (0.60) CDC42RB1GAACASP6BRD3
SCHEMBL31497362 0.87 CDC42 (0.53) CDC42RB1GAACASP6BRD3
SCHEMBL31497389 0.86 SIRT1 (0.53) CDC42RB1GAACASP6BRD3
SCHEMBL31497401 0.86 RB1 (0.52) CDC42RB1GAACASP6BRD3
SCHEMBL31497455 0.86 RB1 (0.52) CDC42RB1GAACASP6BRD3
SCHEMBL31497468 0.86 RB1 (0.52) CDC42RB1GAACASP6BRD3
SCHEMBL31497391 0.81 CDC42 (0.49) CDC42RB1GAACASP6BRD3
SCHEMBL4196304 0.81 RB1 (0.62) CDC42RB1GAACASP6BRD3

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