SCHEMBL18707352

SCHEMBL18707352

CCOC(=O)c1ccc(OCCN2CCOCC2)c(F)c1.O=C(O)c1ccc(OCCN2CCOCC2)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
GAA P10253 2/20 0.48
ATM Q13315 1/20 0.48
KDR P35968 1/20 0.48
KDM4E B2RXH2 4/20 0.47
HTR2A P28223 1/20 0.47
PIK3CA P42336 1/20 0.47
PKM P14618 1/20 0.47
PPARG P37231 2/20 0.47
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL5562205 0.96 SMN1; SMN2 (0.55) SMN1; SMN2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL18707215 0.90 KDR (0.55) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL22842949 0.83 KDR (0.52) SMN1; SMN2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL13503073 0.82 EPHX2 (0.58) SMN1; SMN2L3MBTL1MEN1KMT2AGAA
Hydrochloric Acid SCHEMBL20574681 0.82 ALDH1A1 (0.53) SMN1; SMN2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL4495057 0.81 SMN1; SMN2 (0.58) SMN1; SMN2L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL5548442 0.81 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1KDM4E
SCHEMBL20575879 0.80 KDR (0.54) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL4897162 0.80 KDR (0.54) SMN1; SMN2ALDH1A1MEN1KMT2AMAPT
SCHEMBL13763495 0.79 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1ALDH1A1MEN1KMT2A

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-2017062804-A1 CRMP2 SUMOYLATION INHIBITORS AND USES THEREOF THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-04-13 WO disclosed