SCHEMBL19554200

SCHEMBL19554200

O=C(Nc1ccc(Cl)cc1-c1nn[nH]n1)c1ccc2ccccc2c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 10/20 0.55
KCNK2 O95069 1/20 0.53
PRSS12 P56730 1/20 0.52
F10 P00742 1/20 0.51
XDH P47989 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
IDO1 P14902 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GRIK1 P39086 1/20 0.46
PIN1 Q13526 1/20 0.45

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
SCHEMBL18118626 0.77 KDM4E (0.68) F10NPC1RAB9AMEN1KMT2A
SCHEMBL19554946 0.75 F10 (0.51) PRSS12F10NPC1RAB9AMEN1
SCHEMBL8335663 0.72 NPC1 (0.71) NPC1RAB9AMEN1KMT2A
SCHEMBL19554191 0.72 GAA (0.47) F10NPC1RAB9AMEN1KMT2A
SCHEMBL15283265 0.71 XDH (0.66) GPR35PRSS12XDHNPC1RAB9A
SCHEMBL19575429 0.71 F10 (0.53) F10NPC1RAB9AMEN1KMT2A
SCHEMBL1307456 0.71 GRIK1 (0.67) KCNK2PRSS12F10MEN1KMT2A
SCHEMBL19554168 0.71 KCNMA1 (0.43) GPR35F10NPC1RAB9AALDH1A1
SCHEMBL19554286 0.71 GAA (0.60) F10NPC1RAB9AMEN1KMT2A
SCHEMBL15283263 0.70 XDH (0.63) GPR35PRSS12XDHNPC1RAB9A

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