SCHEMBL762575

SCHEMBL762575

CCCCNc1c(C(=O)OC)cccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
RIPK1 Q13546 1/20 0.48
KMT2A Q03164 2/20 0.47
HCAR3 P49019 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.43
CDK2 P24941 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
MEN1 O00255 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
SCHEMBL7015793 0.96 MAPT (0.48) MAPTGAAALDH1A1L3MBTL1TDP1
SCHEMBL27325815 0.95 MAPT (0.47) MAPTGAAALDH1A1L3MBTL1TDP1
SCHEMBL3668560 0.90 SMN1; SMN2 (0.46) MAPTALDH1A1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL738515 0.89 ALDH1A1 (0.48) MAPTALDH1A1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL3668042 0.89 SMN1; SMN2 (0.45) MAPTALDH1A1L3MBTL1TDP1KMT2A
SCHEMBL2087478 0.87 KDM4E (0.54) MAPTALDH1A1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL14249239 0.87 SMN1; SMN2 (0.49) MAPTGAAALDH1A1L3MBTL1TDP1
SCHEMBL23273490 0.86 MEN1 (0.52) MAPTGAAALDH1A1L3MBTL1KMT2A
SCHEMBL11445418 0.83 MAPT (0.69) MAPTGAAALDH1A1L3MBTL1TDP1
SCHEMBL3478216 0.83 MAPT (0.56) MAPTGAAALDH1A1L3MBTL1TDP1

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
US-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed