SCHEMBL7317428

SCHEMBL7317428

Cc1cc(OCCCCCC(C(N)=O)N2CCCc3ccccc32)cc([N+](=O)[O-])c1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
THRB P10828 1/20 0.36
KMT2A Q03164 4/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM4E B2RXH2 3/20 0.35
MEN1 O00255 3/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HTT P42858 1/20 0.35
MCL1 Q07820 2/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL7313632 0.88 ATM (0.39) ATMTHRBKMT2ANPC1RAB9A
SCHEMBL7319259 0.88 ATM (0.38) ATMTHRBKMT2ANPC1RAB9A
SCHEMBL7311396 0.79 ATM (0.41) ATMTHRBKMT2ANPC1RAB9A
SCHEMBL7316814 0.76 NPC1 (0.42) ATMTHRBKMT2ANPC1RAB9A
SCHEMBL7311157 0.75 ATM (0.41) ATMTHRBKMT2ANPC1RAB9A
SCHEMBL7321016 0.74 ALDH1A1 (0.38) ATMKMT2ANPC1RAB9AKDM4E
SCHEMBL7314546 0.71 PDE3B (0.39) KMT2AKDM4EMEN1ALDH1A1TSHR
SCHEMBL7315285 0.71 PDE3B (0.41) KMT2AMEN1TSHRMAPTTDP1
SCHEMBL7314872 0.71 NPC1 (0.40) KMT2ANPC1RAB9AKDM4EMEN1
SCHEMBL7312638 0.70 MAPT (0.35) ATMKMT2ANPC1RAB9AMEN1

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