SCHEMBL23817837

SCHEMBL23817837

CC(=O)NC(C)(C)CC(C)(C)C(=O)N1CCOc2ccc(N(CCC#N)C(=O)CCl)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FEM1B Q9UK73 2/20 0.54
▸ FNIP1 Q8TF40 1/20 0.54
▸ ALDH1A1 P00352 7/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ HTT P42858 3/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPT P10636 5/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ TSHR P16473 1/20 0.33

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
SCHEMBL23817969 0.84 FNIP1 (0.67) FEM1BFNIP1ALDH1A1RAB9ALMNA
SCHEMBL23817966 0.81 FEM1B (0.61) FEM1BFNIP1ALDH1A1RAB9ALMNA
SCHEMBL23818481 0.78 FEM1B (0.55) FEM1BFNIP1ALDH1A1RAB9ALMNA
SCHEMBL23818490 0.76 FNIP1 (0.53) FEM1BFNIP1ALDH1A1RAB9ALMNA
SCHEMBL25455177 0.75 FNIP1 (0.53) FEM1BFNIP1ALDH1A1RAB9ALMNA
SCHEMBL23804989 0.75 FEM1B (0.61) FEM1BFNIP1ALDH1A1RAB9ALMNA
SCHEMBL30132890 0.75 FEM1B (0.61) FEM1BFNIP1ALDH1A1RAB9ALMNA
SCHEMBL25171623 0.74 FEM1B (0.68) FEM1BFNIP1ALDH1A1RAB9ALMNA
SCHEMBL23818489 0.74 FNIP1 (0.49) FEM1BFNIP1ALDH1A1RAB9ALMNA
SCHEMBL25455176 0.73 FEM1B (0.48) FEM1BFNIP1ALDH1A1RAB9ALMNA

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-2021183431-A1 FEM1B PROTEIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-16 — — WO disclosed
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