SCHEMBL7320392

SCHEMBL7320392

CC(=O)c1cc(OCCC(C(N)=O)C2NCCc3ccccc32)ccc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.36
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
OPRM1 P35372 2/20 0.33
OPRK1 P41145 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAOB P27338 2/20 0.33
MAPK1 P28482 1/20 0.33
TBXA2R P21731 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32

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
SCHEMBL7308548 0.88 SIRT3 (0.39) PRCPMAPTALDH1A1OPRM1OPRK1
SCHEMBL7311807 0.87 PRCP (0.34) PRCPMAPTALDH1A1OPRM1OPRK1
SCHEMBL7320383 0.77 SMN1; SMN2 (0.47) MAPTALDH1A1OPRM1OPRK1MEN1
SCHEMBL7318581 0.77 L3MBTL1 (0.41) PRCPALDH1A1OPRM1OPRK1KDM4E
SCHEMBL7317889 0.75 ALDH1A1 (0.36) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7314872 0.73 NPC1 (0.40) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7316814 0.72 NPC1 (0.42) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL7310181 0.72 L3MBTL1 (0.39) PRCPMAPTALDH1A1OPRM1KDM4E
SCHEMBL10375774 0.70 PDE3B (0.59)
SCHEMBL7318453 0.70 KDM4E (0.46) MAPTALDH1A1MEN1KMT2AKDM4E

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-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed