SCHEMBL7307151

SCHEMBL7307151

CC(=O)c1cc(OCCC(C(N)=O)N2CCCCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAOB P27338 8/20 0.41
MAPT P10636 4/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7318453 0.99 KDM4E (0.46) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7314547 0.85 KDM4E (0.46) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7318382 0.84 KDM4E (0.45) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7318298 0.84 KDM4E (0.45) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7320419 0.83 KDM4E (0.44) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7316814 0.81 NPC1 (0.42) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7314872 0.81 NPC1 (0.40) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7307164 0.79 MAPT (0.41) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7318460 0.78 MAPT (0.42) KDM4EMEN1KMT2AHTTNPC1
SCHEMBL7307157 0.76 KDM4E (0.48) KDM4EMEN1KMT2AHTTNPC1

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