SCHEMBL31706677

SCHEMBL31706677

O=C(O)c1cncc(N2CCN(C(=O)C3CC3)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.52
▸ MAPT P10636 3/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45
▸ ITGB3 P05106 2/20 0.43
▸ ITGA2B P08514 2/20 0.43
▸ CKS1B P61024 1/20 0.42
▸ SKP1 P63208 1/20 0.42
▸ SKP2 Q13309 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ LSS P48449 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ CHEK1 O14757 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ NAMPT P43490 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
SCHEMBL31705602 0.87 NAMPT (0.48) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL29420013 0.86 CHRNB2 (0.51) KMT2AALDH1A1MEN1CHRNB2CHRNA4
SCHEMBL20187819 0.86 CHRNB2 (0.51) KMT2AALDH1A1MEN1CHRNB2CHRNA4
Lithium Ion SCHEMBL31706878 0.86 TDP1 (0.50) TDP1MAPTKMT2AALDH1A1MEN1
Lithium Ion SCHEMBL31704582 0.86 TDP1 (0.50) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL31705087 0.84 TDP1 (0.48) TDP1MAPTKMT2AALDH1A1MEN1
SCHEMBL20206172 0.82 CHRNB2 (0.63) KMT2AALDH1A1MEN1CHRNB2CHRNA4
SCHEMBL23610380 0.82 CHRNB2 (0.55) MAPTKMT2AALDH1A1MEN1CHRNB2
SCHEMBL29420017 0.82 CHRNB2 (0.55) MAPTKMT2AALDH1A1MEN1CHRNB2
SCHEMBL5593185 0.80 ALDH1A1 (0.57) MAPTKMT2AALDH1A1MEN1CHRNB2

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
WO-2025215110-A1 NEW AMIDE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS SOS1 INHIBITORS LES LABORATOIRES SERVIER (FR) 2025-10-16 — — WO disclosed
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