SCHEMBL3369735

SCHEMBL3369735

Cc1c(N)ccc2nc(C(=O)O)cn12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
GAA P10253 3/20 0.38
RXFP1 Q9HBX9 1/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34

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
SCHEMBL3545664 0.81 GAA (0.63) GAARXFP1ALDH1A1POLBGABRA2
SCHEMBL2086528 0.81 PTGS1 (0.41) PTGS1PTGS2GAARXFP1ALDH1A1
SCHEMBL3340526 0.81 PTGS1 (0.41) PTGS1PTGS2GAARXFP1ALDH1A1
SCHEMBL2489707 0.81 RAB9A (0.53) GAAPOLBTSHRRAB9ANPC1
SCHEMBL3367405 0.78 PTGS1 (0.40) PTGS1PTGS2GAARXFP1ALDH1A1
SCHEMBL3628721 0.78 KDM4E (0.51) PTGS1PTGS2GAAALDH1A1KDM4E
SCHEMBL3498219 0.75 SMN1; SMN2 (0.47) GAAALDH1A1POLBGABRA2GABRB2
SCHEMBL3035988 0.73 PTGS1 (0.51) PTGS1PTGS2GAAALDH1A1KDM4E
SCHEMBL119926 0.73 GAA (0.66) PTGS1PTGS2GAAALDH1A1POLB
SCHEMBL3718312 0.73 GAA (0.39) PTGS1PTGS2GAAKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2041133-B1 DERIVATIVES OF IMIDAZO [1,2-A]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-10-13 EP disclosed
EP-2041133-A1 DERIVATIVES OF IMIDAZO [1,2-A]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2009-04-01 EP disclosed
WO-2008003856-A1 DERIVATIVES OF IMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2008-01-10 WO disclosed
US-5980585-A NONTOXIC; HAIR DYE L'OREAL (FR) 1999-11-09 US disclosed