SCHEMBL23818490

SCHEMBL23818490

CCC(=O)N(CCC#N)c1ccc2c(c1)N(C(C)=O)CCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FNIP1 Q8TF40 1/20 0.53
▸ FEM1B Q9UK73 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NOTUM Q6P988 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ HTT P42858 2/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ POLB P06746 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
SCHEMBL23817969 0.91 FNIP1 (0.67) FNIP1FEM1BALDH1A1CYP1A2CYP3A4
SCHEMBL23818489 0.88 FNIP1 (0.49) FNIP1FEM1BALDH1A1CYP1A2CYP3A4
SCHEMBL25455177 0.81 FNIP1 (0.53) FNIP1FEM1BALDH1A1NOTUMMAPT
SCHEMBL23817966 0.79 FEM1B (0.61) FNIP1FEM1BALDH1A1CYP1A2CYP3A4
SCHEMBL23817939 0.78 FEM1B (0.52) FNIP1FEM1BALDH1A1CYP1A2CYP3A4
SCHEMBL25455181 0.78 FEM1B (0.47) FNIP1FEM1BALDH1A1CYP1A2CYP3A4
SCHEMBL25171623 0.73 FEM1B (0.68) FNIP1FEM1BALDH1A1CYP1A2CYP3A4
SCHEMBL25386717 0.71 NOTUM (0.58) NOTUMKMT2APDE3BPDE3APOLB
SCHEMBL30132890 0.71 FEM1B (0.61) FNIP1FEM1BALDH1A1CYP1A2CYP3A4
SCHEMBL10274847 0.71 NOTUM (0.65) ALDH1A1NOTUMMAPTHTTKMT2A

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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