SCHEMBL18924692

SCHEMBL18924692

CCCCCCCC(C)c1nc2ccccc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.61
HPGD P15428 2/20 0.44
CASR P41180 1/20 0.44
ALOX5 P09917 1/20 0.44
RAB9A P51151 6/20 0.41
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
NFKB1 P19838 1/20 0.40
STAT1 P42224 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
FBP1 P09467 1/20 0.40
MAPT P10636 2/20 0.39

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
SCHEMBL21013849 1.00 LOXL2 (0.61) LOXL2HPGDCASRALOX5RAB9A
SCHEMBL22919771 0.94 LOXL2 (0.65) LOXL2HPGDCASRALOX5RAB9A
SCHEMBL20178515 0.88 LOXL2 (0.69) LOXL2HPGDCASRALOX5RAB9A
SCHEMBL27940631 0.85 LOXL2 (0.50) LOXL2HPGDCASRALOX5RAB9A
SCHEMBL3469768 0.85 LOXL2 (0.57) LOXL2HPGDCASRALOX5RAB9A
SCHEMBL27921995 0.84 LOXL2 (0.49) LOXL2HPGDCASRALOX5RAB9A
SCHEMBL28392684 0.84 LOXL2 (0.72) LOXL2HPGDCASRALOX5RAB9A
SCHEMBL19370495 0.83 NPC1 (0.41) LOXL2RAB9ANPC1GAAMAPK1
Bromide SCHEMBL10646476 0.83 LOXL2 (0.48) LOXL2HPGDCASRALOX5RAB9A
SCHEMBL21291322 0.82 LOXL2 (0.50) LOXL2HPGDCASRALOX5RAB9A

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-9670157-B2 Benzylamine derivatives KALVISTA PHARMACEUTICALS LIMITED (GB) 2017-06-06 US disclosed