SCHEMBL21393239

SCHEMBL21393239

C=CC(=O)N1CCCCCC1c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
SRC P12931 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
GSK3B P49841 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
BTK Q06187 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GRM5 P41594 2/20 0.39

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
SCHEMBL28310981 0.82 POLB (0.64) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL15389250 0.81 POLB (0.59) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28310319 0.77 POLB (0.58) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19961311 0.77 POLB (0.46) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19967733 0.77 POLB (0.46) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10838180 0.76 SRC (0.57) SRCBTK
SCHEMBL19889062 0.72 BRD4 (0.52) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6618840 0.72 LMNA (0.43) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29336549 0.72 NPC1 (0.43) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL21393225 0.72 LMNA (0.54) ALDH1A1LMNAKDM4E

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
US-20190293641-A1 ASSAY IMPERIAL COLLEGE INNOVATIONS, LTD. (GB) 2019-09-26 US disclosed