SCHEMBL7309403

SCHEMBL7309403

CC(=O)c1c(C)cc(OCCCCC(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 5/20 0.44
RAB9A P51151 4/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 3/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
THRB P10828 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7314782 0.86 KMT2A (0.47) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL7317460 0.85 KMT2A (0.46) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL7316869 0.83 MAOB (0.49) KMT2ANPC1RAB9ASMN1; SMN2PDE3B
SCHEMBL7309409 0.81 NPC1 (0.43) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL7319372 0.81 ALDH1A1 (0.47) KMT2ANPC1RAB9AALDH1A1MAPK1
SCHEMBL7311180 0.79 PDE3B (0.47) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10374643 0.79 NPC1 (0.43) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL7318596 0.79 NPC1 (0.43) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL7310331 0.78 PKM (0.43) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL10374758 0.78 NPC1 (0.44) KMT2AMEN1NPC1RAB9AALDH1A1

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