SCHEMBL23804993

SCHEMBL23804993

N#CCCN(C(=O)CCl)c1ccc2c(c1)OCCN2CC(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEM1B Q9UK73 3/20 0.67
FNIP1 Q8TF40 1/20 0.67
ALDH1A1 P00352 8/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 2/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 3/20 0.48
BRD4 O60885 2/20 0.46
MAPT P10636 3/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
JAK2 O60674 1/20 0.42
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
TSHR P16473 2/20 0.35

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
SCHEMBL30132888 0.89 FEM1B (0.62) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23817980 0.89 FEM1B (0.62) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL25455734 0.87 FEM1B (0.60) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL25171623 0.87 FEM1B (0.68) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23817965 0.86 FEM1B (0.59) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23818425 0.83 FEM1B (0.57) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23804991 0.81 FNIP1 (1.00) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23804989 0.80 FEM1B (0.61) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL30132890 0.80 FEM1B (0.61) FEM1BFNIP1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL23818422 0.79 FEM1B (0.60) 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 2 patents. 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
WO-2021183431-A1 FEM1B PROTEIN BINDING AGENTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-09-16 WO disclosed