SCHEMBL10207668

SCHEMBL10207668

CCOC(=O)c1ccc(-n2cc(N)c3cc(OCc4ccsc4)ccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.41
PARP10 Q53GL7 1/20 0.41
PARP3 Q9Y6F1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTPN11 Q06124 1/20 0.39
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.38
CHEK2 O96017 1/20 0.38
POLB P06746 1/20 0.38
JAK3 P52333 1/20 0.38
IDO1 P14902 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
SCHEMBL2736806 0.88 PARP15 (0.44) PARP15PARP10PARP3
SCHEMBL2736916 0.87 GABRA1 (0.46) SMN1; SMN2
SCHEMBL12309519 0.87
SCHEMBL2737089 0.84 MAPT (0.44) SMN1; SMN2HSD17B10PTPN11MAPTLMNA
SCHEMBL2737112 0.81 TDP1 (0.47) SMN1; SMN2HSD17B10PTPN11LMNA
SCHEMBL2736681 0.80 SMN1; SMN2 (0.46) SMN1; SMN2HSD17B10PTPN11MAPTLMNA
SCHEMBL2737114 0.79 TDP1 (0.43) SMN1; SMN2HSD17B10LMNAPOLB
SCHEMBL2737105 0.79 CA12 (0.51) SMN1; SMN2HSD17B10MAPTLMNA
SCHEMBL2736511 0.77 HPGD (0.47) SMN1; SMN2MAPTLMNAIDO1
SCHEMBL2737111 0.76 MAPT (0.49) SMN1; SMN2MAPTLMNA

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
EP-2402314-A1 (Aza)indole derivative and use thereof for medical purposes Kissei Pharmaceutical Co., Ltd. (JP) 2012-01-04 EP disclosed