SCHEMBL2736652

SCHEMBL2736652

CCOC(=O)c1ccc(-n2cc(N)c3ccc(OC(C)C)cc32)cc1OCOC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PKM P14618 1/20 0.36
TP53 P04637 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SENP8 Q96LD8 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
LMNA P02545 1/20 0.35
PLA2G4A P47712 1/20 0.35

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
SCHEMBL10207829 0.92 ALDH1A1 (0.42) MAPTALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL10208272 0.89 POLB (0.39) POLB
SCHEMBL2736960 0.89 GABRA1 (0.41) POLB
SCHEMBL10208261 0.89 MAPT (0.35) MAPTALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL2736994 0.88 POLB (0.38) POLB
SCHEMBL10207673 0.88 PSEN1 (0.38) MAPTALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL12309570 0.87
SCHEMBL10207266 0.87 POLB (0.37) POLB
SCHEMBL2736633 0.87 KDM4E (0.39) ALDH1A1SMN1; SMN2KDM4EMEN1NPC1
SCHEMBL2736782 0.85 HPGD (0.42) POLBMEN1HPGDKMT2A

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