SCHEMBL19554279

SCHEMBL19554279

O=C(Nc1ccc(Cl)cc1-n1nn[nH]c1=O)c1ccc2cc(Cl)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
F10 P00742 2/20 0.40
GAA P10253 1/20 0.40
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
CA7 P43166 1/20 0.38
RAB9A P51151 4/20 0.38
NPC1 O15118 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
DNMT3A Q9Y6K1 1/20 0.38
CYP2D6 P10635 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
HDAC1 Q13547 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL19554191 0.95 GAA (0.47) F10GAACA2CA9RAB9A
SCHEMBL19554313 0.93 KCNMA1 (0.42) JAK2JAK1F10RAB9ANPC1
SCHEMBL19554871 0.93 F10 (0.48) JAK2JAK1F10RAB9ANPC1
SCHEMBL19554319 0.90 SMN1; SMN2 (0.44) JAK2JAK1F10GAARAB9A
SCHEMBL19554306 0.90 MEN1 (0.42) JAK2JAK1F10RAB9ANPC1
SCHEMBL19554160 0.89 SERPINE1 (0.42) JAK2JAK1GAARAB9ANPC1
SCHEMBL19554711 0.88 MAPT (0.42) F10RAB9ACYP1A2CYP2C19CYP2D6
SCHEMBL19554374 0.86 KDM4E (0.49) RAB9ANPC1CYP1A2CYP2C19CYP2D6
SCHEMBL19554849 0.85 GAA (0.40) JAK2JAK1F10GAARAB9A
SCHEMBL19554361 0.85 HDAC1 (0.41) RAB9ANPC1CYP1A2CYP2C19HDAC1

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