SCHEMBL27982178

SCHEMBL27982178

Cc1cc(C(=O)O)cc(C(=O)O)c1.NC(=O)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.53
NR4A2 P43354 1/20 0.53
NR4A3 Q92570 1/20 0.53
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
CDC25B P30305 1/20 0.47
DHODH Q02127 4/20 0.47
PTPN1 P18031 1/20 0.46
TPMT P51580 1/20 0.46
HCAR1 Q9BXC0 1/20 0.45
POLB P06746 2/20 0.44
PARP1 P09874 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PLK1 P53350 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 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
Naphthoic Acid SCHEMBL27788340 0.89 NR4A1 (0.68) NR4A1NR4A2NR4A3NPC1RAB9A
Isophthalic Acid SCHEMBL27561289 0.88 NR4A1 (0.59) NR4A1NR4A2NR4A3NPC1RAB9A
Isophthalic Acid SCHEMBL27649598 0.87 NR4A1 (0.54) NR4A1NR4A2NR4A3NPC1RAB9A
Benzoic Acid SCHEMBL15327842 0.84 NR4A1 (0.63) NR4A1NR4A2NR4A3NPC1RAB9A
Benzoic Acid SCHEMBL30568379 0.84 NR4A1 (0.63) NR4A1NR4A2NR4A3NPC1RAB9A
SCHEMBL28042255 0.82 HSD17B10 (0.53) NR4A1NR4A2NR4A3NPC1RAB9A
SCHEMBL28088886 0.81 NR4A1 (0.65) NR4A1NR4A2NR4A3NPC1RAB9A
Naphthoic Acid SCHEMBL11239277 0.81 NR4A1 (0.81) NR4A1NR4A2NR4A3ALDH1A1CDC25B
SCHEMBL29381201 0.80 KDM4E (0.68) NR4A1NR4A2NR4A3KDM4EALDH1A1
SCHEMBL43084 0.80 KDM4E (0.68) NR4A1NR4A2NR4A3KDM4EALDH1A1

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
CN-102325753-B Carbazole carboxamide compounds useful as kinase inhibitors BRISTOL MYERS SQUIBB CO 2014-09-10 CN disclosed