SCHEMBL3235183

SCHEMBL3235183

Cc1cc(N2CCOCC2)sc1C(=O)NC1CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 2/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPK14 Q16539 3/20 0.43
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
PDE7A Q13946 2/20 0.42
CYP2C19 P33261 1/20 0.42
NPC1 O15118 2/20 0.42
CNR2 P34972 2/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PRKDC P78527 1/20 0.41
LCK P06239 1/20 0.41

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
SCHEMBL3119596 0.79 PIK3CD (0.56) ALDH1A1SMN1; SMN2RAB9AKDM4EGAA
SCHEMBL3121805 0.79 PRKDC (0.48) ALDH1A1LMNASMN1; SMN2KDM4EGAA
SCHEMBL3126013 0.78 IKBKB (0.52) ALDH1A1LMNAHTTSMN1; SMN2KDM4E
SCHEMBL10298276 0.69 PRKDC (0.49) ALDH1A1HTTTSHRKDM4EGAA
SCHEMBL23815324 0.69 LMNA (0.47) ALDH1A1LMNASMN1; SMN2MAPK14NPC1
SCHEMBL27029191 0.67 PRKDC (0.44) ALDH1A1LMNASMN1; SMN2KDM4EGAA
SCHEMBL13162377 0.67 KDM4E (0.60) ALDH1A1SMN1; SMN2MAPK14NPC1CNR2
SCHEMBL14507570 0.67 CHRM4 (0.46) ALDH1A1LMNANPC1RAB9AKDM4E
SCHEMBL10298247 0.66 PIK3CD (0.50) ALDH1A1SMN1; SMN2RAB9AKDM4EGAA
SCHEMBL13162015 0.66 NPC1 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9AGAA

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-2010001126-A1 THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-01-07 WO disclosed