SCHEMBL19964840

SCHEMBL19964840

O=C(Nc1ccccc1)c1cccc(-n2cnc3cnc(Br)cc32)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 3/20 0.47
ORAI1 Q96D31 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
FGFR1 P11362 5/20 0.46
AURKA O14965 1/20 0.44
KDR P35968 1/20 0.44
AURKB Q96GD4 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44

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
SCHEMBL17531414 0.86 FGFR1 (0.58) KDM4EALDH1A1ORAI1NPC1RAB9A
SCHEMBL19964835 0.84 ORAI1 (0.46) KDM4EALDH1A1ORAI1MEN1KMT2A
SCHEMBL19953244 0.84 LOXL2 (0.46) KDM4EALDH1A1ORAI1NPC1RAB9A
SCHEMBL17531409 0.80 FGFR1 (0.57) ALDH1A1ORAI1NPC1RAB9AFGFR1
SCHEMBL19964496 0.80 IDO1 (0.48) ALDH1A1HDAC1HDAC2HDAC8HDAC6
SCHEMBL16147899 0.80 MEN1 (0.58) ORAI1MEN1KMT2ANPC1RAB9A
SCHEMBL16158476 0.78 FGFR1 (0.61) ORAI1NPC1RAB9AFGFR1AURKA
SCHEMBL23680588 0.76 HPGD (0.62) ALDH1A1FGFR1HPGDTP53
SCHEMBL16158509 0.75 FGFR1 (0.57) NPC1RAB9AFGFR1AURKAKDR
SCHEMBL16147819 0.75 FGFR1 (0.70) ALDH1A1ORAI1MEN1KMT2ANPC1

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-2018048930-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2018-03-15 WO disclosed