SCHEMBL2737112

SCHEMBL2737112

CCOC(=O)c1ccc(-n2cc(N)c3cc(OCCOC)ccc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 1/20 0.43
PTGER4 P35408 2/20 0.43
GABRA1 P14867 1/20 0.42
GABRG2 P18507 1/20 0.42
GABRB3 P28472 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTPN11 Q06124 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL2737114 0.88 TDP1 (0.43) TDP1L3MBTL1HPGDSMN1; SMN2HSD17B10
SCHEMBL2736681 0.87 SMN1; SMN2 (0.46) L3MBTL1SMN1; SMN2HSD17B10PTPN11LMNA
SCHEMBL12309498 0.85
SCHEMBL2736916 0.84 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2737105 0.82 CA12 (0.51) TDP1HPGDSMN1; SMN2HSD17B10LMNA
SCHEMBL2736796 0.81
SCHEMBL2736769 0.81 PTGER4 (0.41) TDP1HPGDPTGER4SMN1; SMN2LMNA
SCHEMBL2737089 0.81 MAPT (0.44) TDP1L3MBTL1SMN1; SMN2HSD17B10PTPN11
SCHEMBL10207668 0.81 PARP15 (0.41) SMN1; SMN2HSD17B10PTPN11LMNA
SCHEMBL2736511 0.80 HPGD (0.47) TDP1HPGDSMN1; SMN2LMNA

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
EP-2402314-A1 (Aza)indole derivative and use thereof for medical purposes Kissei Pharmaceutical Co., Ltd. (JP) 2012-01-04 EP disclosed
EP-2133332-A1 (AZA)INDOLE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES Kissei Pharmaceutical Co., Ltd. (JP) 2009-12-16 EP disclosed