SCHEMBL30132888

SCHEMBL30132888

COC(=O)CN1CCOc2cc(N(CCC#N)C(=O)CCl)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FEM1B Q9UK73 3/20 0.62
▸ FNIP1 Q8TF40 1/20 0.62
▸ ALDH1A1 P00352 7/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ BRD4 O60885 2/20 0.47
▸ HTT P42858 3/20 0.45
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ MAPT P10636 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL23817980 1.00 FEM1B (0.62) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23817965 0.90 FEM1B (0.59) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23804993 0.89 FEM1B (0.67) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL25455734 0.87 FEM1B (0.60) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23818425 0.84 FEM1B (0.57) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL25455179 0.82 FEM1B (0.48) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23817933 0.82 FEM1B (0.48) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL25171623 0.82 FEM1B (0.68) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23804989 0.81 FEM1B (0.61) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL30132890 0.81 FEM1B (0.61) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2

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
EP-4117640-A1 FEM1B PROTEIN BINDING AGENTS AND USES THEREOF The Regents of the University of California (US) 2023-01-18 — — EP disclosed
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