SCHEMBL31020826

SCHEMBL31020826

Cc1cc2cc(CNC(=S)N3CC4(CC(=O)c5cc(Cl)ccc5O4)C3)ccc2[nH]1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 9/20 0.68
▸ LMNA P02545 3/20 0.43
▸ MAPT P10636 7/20 0.43
▸ HPGD P15428 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ HTT P42858 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALOX12 P18054 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL23928869 1.00 CHRNA7 (0.68) CHRNA7LMNAMAPTHPGDKDM4E
SCHEMBL23928866 0.91 CHRNA7 (0.82) CHRNA7LMNAMAPTHPGDKDM4E
SCHEMBL31020806 0.91 CHRNA7 (0.82) CHRNA7LMNAMAPTHPGDKDM4E
SCHEMBL23928862 0.84 CHRNA7 (0.82) CHRNA7LMNAMAPTHPGDKDM4E
SCHEMBL23957173 0.82 CHRNA7 (0.82) CHRNA7LMNAHPGDKDM4EALDH1A1
SCHEMBL31020812 0.81 CHRNA7 (1.00) CHRNA7LMNAMAPTHPGDKDM4E
SCHEMBL23928854 0.81 CHRNA7 (1.00) CHRNA7LMNAMAPTHPGDKDM4E
SCHEMBL21617953 0.80 CHRNA7 (1.00) CHRNA7LMNAMAPTHPGDKDM4E
SCHEMBL31020824 0.80 CHRNA7 (1.00) CHRNA7LMNAMAPTHPGDKDM4E
SCHEMBL23928857 0.80 CHRNA7 (0.82) CHRNA7LMNAMAPTHPGDKDM4E

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-112823157-B Spirochroman derivatives 吉瑞工厂 2024-08-09 — — CN disclosed
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