SCHEMBL10428573

SCHEMBL10428573

COc1ccc(CNOC(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
PKM P14618 1/20 0.49
CHRM2 P08172 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LTA4H P09960 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 1/20 0.44
IDO1 P14902 1/20 0.44
HTT P42858 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL6076678 0.78 ALDH1A1 (0.57) ALDH1A1PKMCHRM2MEN1KMT2A
SCHEMBL351861 0.76 IDO1 (0.43) ALDH1A1CHRM2MEN1KMT2AMAPT
SCHEMBL6317990 0.75 HDAC3 (0.54) ALDH1A1MEN1KMT2ANPC1GAA
SCHEMBL6492992 0.75 ALDH1A1 (0.53) ALDH1A1PKMCHRM2MEN1KMT2A
SCHEMBL31137727 0.74 CHRM2 (0.56) ALDH1A1PKMCHRM2MEN1KMT2A
SCHEMBL121529 0.73 CHRM2 (0.70) ALDH1A1PKMCHRM2GAAIDO1
SCHEMBL7346729 0.73 ALDH1A1 (0.61) ALDH1A1PKMCHRM2MEN1KMT2A
SCHEMBL4076763 0.73 ALDH1A1 (0.52) ALDH1A1PKMCHRM2MEN1KMT2A
SCHEMBL1608953 0.73 IDO1 (0.53) ALDH1A1PKMCHRM2MEN1KMT2A
SCHEMBL17770657 0.72 CHRM2 (0.68) ALDH1A1PKMCHRM2MEN1KMT2A

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-4897109-A ACYLAMINE DERIVATIVE CIBA-GEIGY CORPORATION (US) 1990-01-30 US disclosed