SCHEMBL10208261

SCHEMBL10208261

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPBWR1 P48145 1/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATM Q13315 1/20 0.34
CMA1 P23946 2/20 0.34
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL2736652 0.89 MAPT (0.37) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL10207829 0.88 ALDH1A1 (0.42) MAPTLMNAALDH1A1SMN1; SMN2NPSR1
SCHEMBL12309543 0.87
SCHEMBL10208272 0.85 POLB (0.39) POLB
SCHEMBL2736960 0.85 GABRA1 (0.41) POLBCYP1A2CYP2D6
SCHEMBL2737062 0.85 KDM1A (0.39)
SCHEMBL2737063 0.85 PIM1 (0.47) MAPTALDH1A1SMN1; SMN2KDM4ENPC1
SCHEMBL2736994 0.84 POLB (0.38) POLB
SCHEMBL10207673 0.84 PSEN1 (0.38) MAPTALDH1A1SMN1; SMN2NPSR1KDM4E
SCHEMBL2736633 0.83 KDM4E (0.39) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A

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