SCHEMBL7309017

SCHEMBL7309017

CC(=O)c1c(F)ccc(OCCCCCCC(=O)NN2CCOCC2)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
HTR1A P08908 4/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2A P28223 3/20 0.37
MAPT P10636 4/20 0.36
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
USP2 O75604 1/20 0.35
HDAC3 O15379 1/20 0.35
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
BRD3 Q15059 1/20 0.35

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
SCHEMBL7315012 0.86 KMT2A (0.40) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL7317952 0.85 KMT2A (0.39) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL7309025 0.77 SLC6A4 (0.32) HTR2A
SCHEMBL7309450 0.72 MAPT (0.52) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL7310614 0.70 CNR1 (0.43) KMT2AALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL7317898 0.69 MAPT (0.53) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL7310467 0.68 ALDH1A1 (0.48) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL7309010 0.67 SLC6A4 (0.33) KDM4EHTR2APOLB
SCHEMBL7319188 0.67 ALDH1A1 (0.47) KMT2AALDH1A1KDM4ENPC1RAB9A
SCHEMBL7313764 0.66 HDAC1 (0.34) ALDH1A1KDM4ERAB9AMAPTHDAC1

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