SCHEMBL19554306

SCHEMBL19554306

N#Cc1ccc2cc(C(=O)Nc3ccc(Cl)cc3-n3nn[nH]c3=O)ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
F10 P00742 3/20 0.40
PLAU P00749 3/20 0.39
F2 P00734 1/20 0.39
PLG P00747 1/20 0.39
KLKB1 P03952 1/20 0.39
PRSS1 P07477 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
ALPL P05186 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
SIRT2 Q8IXJ6 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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 0.90 JAK2 (0.42) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL19554191 0.87 GAA (0.47) MEN1KMT2AF10NPC1RAB9A
SCHEMBL19554313 0.85 KCNMA1 (0.42) CYP1A2CYP3A4CYP2C19F10L3MBTL1
SCHEMBL19554871 0.85 F10 (0.48) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL19554160 0.82 SERPINE1 (0.42) JAK2JAK1NPC1RAB9A
SCHEMBL19554319 0.81 SMN1; SMN2 (0.44) MEN1KMT2AF10JAK2JAK1
SCHEMBL19554711 0.81 MAPT (0.42) MEN1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL19575761 0.80 MEN1 (0.43) MEN1KMT2ACYP1A2CYP3A4CYP2D6
SCHEMBL19554849 0.78 GAA (0.40) F10JAK2JAK1NPC1RAB9A
SCHEMBL19554374 0.77 KDM4E (0.49) MEN1KMT2ACYP1A2CYP3A4CYP2D6

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