SCHEMBL19634293

SCHEMBL19634293

COCCNC(=O)c1cccc(CN)c1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 6/20 0.65
LOX P28300 4/20 0.65
HPGD P15428 2/20 0.56
CFD P00746 1/20 0.53
HTR2C P28335 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.53
KDM1A O60341 1/20 0.51
ROCK2 O75116 1/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EPHX2 P34913 1/20 0.50
ACACB O00763 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL7022389 0.89 LOXL2 (0.54) LOXL2LOXHPGDMRGPRX4KDM1A
SCHEMBL19634744 0.88 LOXL2 (0.54) LOXL2LOXHPGDCFDHTR2C
SCHEMBL19634711 0.87 MEN1 (0.56) LOXL2LOXHPGDCFDHTR2C
SCHEMBL2056391 0.87 HPGD (0.57) LOXL2LOXHPGDMRGPRX4KDM1A
SCHEMBL8284791 0.87 HPGD (0.57) LOXL2LOXHPGDMRGPRX4KDM1A
SCHEMBL23471233 0.87 MRGPRX4 (0.60) LOXL2LOXHPGDMRGPRX4KDM1A
SCHEMBL19634404 0.84 LOXL2 (0.64) LOXL2LOXHPGDNPC1ALDH1A1
SCHEMBL18301728 0.84 HPGD (0.58) LOXL2LOXHPGDMRGPRX4KDM1A
SCHEMBL19634574 0.84 KDM1A (0.55) LOXL2LOXHPGDMRGPRX4KDM1A
SCHEMBL18049307 0.84 LOXL2 (0.81) LOXL2LOXHPGDCFD

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-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed