SCHEMBL2736783

SCHEMBL2736783

CCOC(=O)c1ccc(-n2cc(N)c3cc(OCC)ccc32)cc1O

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL2736688 0.89
SCHEMBL2736693 0.82
SCHEMBL2737028 0.78 MAPT (0.40) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL10207829 0.78 ALDH1A1 (0.42) MAPTKDM4EALDH1A1POLBPKM
SCHEMBL2737047 0.77
SCHEMBL9952719 0.76 CA12 (0.73) MAPTKDM4EALDH1A1MEN1USP2
SCHEMBL2737112 0.76 TDP1 (0.47) SMN1; SMN2HSD17B10
SCHEMBL2736681 0.76 SMN1; SMN2 (0.46) MAPTKDM4EALDH1A1MEN1POLB
SCHEMBL2737114 0.75 TDP1 (0.43) POLBSMN1; SMN2HSD17B10
SCHEMBL2736916 0.75 GABRA1 (0.46) MEN1RAB9AKMT2ASMN1; SMN2

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