SCHEMBL7313632

SCHEMBL7313632

CC(=O)c1c(C)cc(OCCCCCC(C(N)=O)N2CCCc3ccccc32)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
HTT P42858 2/20 0.35
THRB P10828 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
EED O75530 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
SCHEMBL7319259 0.88 ATM (0.38) ATMNPC1RAB9AKDM4EMEN1
SCHEMBL7317428 0.88 ATM (0.38) ATMNPC1RAB9AKDM4EMEN1
SCHEMBL7316814 0.80 NPC1 (0.42) ATMNPC1RAB9AKDM4EMEN1
SCHEMBL7311157 0.76 ATM (0.41) ATMNPC1RAB9AKDM4EMEN1
SCHEMBL7311396 0.75 ATM (0.41) ATMNPC1RAB9AKDM4EMEN1
SCHEMBL7314872 0.74 NPC1 (0.40) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL7314546 0.72 PDE3B (0.39) KDM4EMEN1KMT2AALDH1A1TSHR
SCHEMBL7315285 0.71 PDE3B (0.41) MEN1KMT2ATSHRMAPTTDP1
SCHEMBL7316945 0.71 ALDH1A1 (0.36) ATMNPC1RAB9AMEN1KMT2A
SCHEMBL7309718 0.71 ALDH1A1 (0.38) ATMNPC1RAB9AKDM4EMEN1

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