SCHEMBL19554191

SCHEMBL19554191

O=C(Nc1ccc(Cl)cc1-n1nn[nH]c1=O)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
F10 P00742 1/20 0.47
NPC1 O15118 5/20 0.44
RAB9A P51151 5/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
DHODH Q02127 1/20 0.43
TP53 P04637 1/20 0.42
KDM4E B2RXH2 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 1/20 0.42
RXFP1 Q9HBX9 2/20 0.40
MAPT P10636 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
DEGS1 O15121 1/20 0.40

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
SCHEMBL19554279 0.95 JAK2 (0.42) GAAF10NPC1RAB9AMEN1
SCHEMBL19554313 0.90 KCNMA1 (0.42) F10NPC1RAB9ARXFP1MAPT
SCHEMBL19554871 0.90 F10 (0.48) F10NPC1RAB9AMEN1KMT2A
SCHEMBL19554306 0.87 MEN1 (0.42) F10NPC1RAB9AMEN1KMT2A
SCHEMBL19554160 0.86 SERPINE1 (0.42) GAANPC1RAB9A
SCHEMBL19554319 0.85 SMN1; SMN2 (0.44) GAAF10NPC1RAB9AMEN1
SCHEMBL19554711 0.85 MAPT (0.42) F10RAB9AMEN1KMT2AMAPT
SCHEMBL19554849 0.82 GAA (0.40) GAAF10NPC1RAB9ARXFP1
SCHEMBL19554374 0.81 KDM4E (0.49) NPC1RAB9AMEN1KMT2ATP53
SCHEMBL19554361 0.80 HDAC1 (0.41) NPC1RAB9AMEN1KMT2ATP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO claimed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed