SCHEMBL19634404

SCHEMBL19634404

COCCNC(=O)c1ccc(CN)cc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 6/20 0.64
HPGD P15428 3/20 0.62
ALDH1A1 P00352 1/20 0.62
LOX P28300 4/20 0.61
KMT2A Q03164 2/20 0.57
HDAC3 O15379 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
NCOR2 Q9Y618 1/20 0.56
MCHR1 Q99705 1/20 0.55
NAMPT P43490 1/20 0.51
NPC1 O15118 1/20 0.50

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
SCHEMBL8404700 0.91 SMN1; SMN2 (0.58) LOXL2HPGDALDH1A1LOXKMT2A
SCHEMBL19634424 0.87 LOXL2 (0.52) LOXL2HPGDALDH1A1LOXKMT2A
SCHEMBL19634682 0.86 KMT2A (0.55) LOXL2HPGDALDH1A1LOXKMT2A
SCHEMBL2056358 0.85 HPGD (0.64) HPGDALDH1A1KMT2ANAMPTNPC1
SCHEMBL7445362 0.85 HPGD (0.64) LOXL2HPGDALDH1A1KMT2ANAMPT
SCHEMBL24808224 0.84 SMN1; SMN2 (0.54) LOXL2HPGDALDH1A1LOXKMT2A
SCHEMBL19634293 0.84 LOXL2 (0.65) LOXL2HPGDALDH1A1LOXNPC1
SCHEMBL23568255 0.84 SMN1; SMN2 (0.57) LOXL2HPGDALDH1A1LOXKMT2A
SCHEMBL9229365 0.83 ALDH1A1 (0.67) LOXL2HPGDALDH1A1KMT2ANAMPT
SCHEMBL19465880 0.83 HPGD (0.62) LOXL2HPGDALDH1A1LOXKMT2A

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-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed