SCHEMBL27784147

SCHEMBL27784147

NC(=O)n1ncc2cccc(C(=O)O)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR4A3 Q92570 2/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
RIPK2 O43353 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PLA2G10 O15496 1/20 0.38
PARP1 P09874 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DHODH Q02127 1/20 0.38
PLK4 O00444 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
MAP4K4 O95819 1/20 0.37
CSF1R P07333 1/20 0.37
RET P07949 1/20 0.37
FGFR1 P11362 1/20 0.37

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
SCHEMBL2585360 0.77 DHODH (0.46) POLBMAPTSMN1; SMN2NR4A3NR4A1
SCHEMBL29520867 0.77 DHODH (0.46) POLBMAPTSMN1; SMN2NR4A3NR4A1
Hydrochloric Acid SCHEMBL6809142 0.75 DHODH (0.44) POLBMAPTSMN1; SMN2NR4A3NR4A1
SCHEMBL18937274 0.73 KDM4E (0.46) POLBMAPTSMN1; SMN2NR4A3NR4A1
SCHEMBL6013338 0.72 KMO (0.43) POLBMAPTSMN1; SMN2NR4A3NR4A1
SCHEMBL28448801 0.71 RECQL (0.54) POLBNR4A3NR4A1NR4A2HSD17B10
Indazole Carboxamide SCHEMBL42505 0.70 SLC22A12 (0.53) POLBSMN1; SMN2HSD17B10L3MBTL1CHEK1
SCHEMBL28321271 0.70 PARP1 (0.46) SMN1; SMN2RIPK2PARP1PLK4CHEK1
SCHEMBL29520631 0.69 PARP1 (0.49) SMN1; SMN2RIPK2PARP1PLK4CHEK1
SCHEMBL534347 0.68 RIPK2 (0.42) MAPTSMN1; SMN2RIPK2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101932572-A Pharmaceutically acceptable salts of 2- {4- [ (3S) -piperidin-3-yl ] phenyl } -2H-indazole-7-carboxamide MERCK & CO INC 2010-12-29 CN disclosed
CN-101541757-A Pyrazolines as Mineralocorticoid Receptor Antagonists PFIZER PROD INC (US) 2009-09-23 CN disclosed