SCHEMBL7312643

SCHEMBL7312643

O=Cc1c(OCCCCC(=O)NN2CCc3ccccc32)ccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
HPGD P15428 4/20 0.38
NPSR1 Q6W5P4 2/20 0.38
ALDH1A1 P00352 4/20 0.38
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 2/20 0.35
LMNA P02545 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
NPC1 O15118 1/20 0.35
ATM Q13315 1/20 0.34
POLB P06746 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
SCHEMBL7316951 0.87 MAPT (0.39) MAPTHPGDNPSR1ALDH1A1USP2
SCHEMBL7312248 0.85 MAPT (0.39) MAPTHPGDNPSR1ALDH1A1USP2
SCHEMBL7312638 0.78 MAPT (0.35) MAPTHPGDNPSR1ALDH1A1USP2
SCHEMBL7311708 0.76 RAB9A (0.37) MAPTHPGDNPSR1ALDH1A1SMN1; SMN2
SCHEMBL7316795 0.76 RAB9A (0.40) MAPTHPGDNPSR1ALDH1A1SMN1; SMN2
SCHEMBL7320935 0.75 RAB9A (0.39) MAPTHPGDNPSR1ALDH1A1SMN1; SMN2
SCHEMBL7310516 0.75 RAB9A (0.37) MAPTHPGDNPSR1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7311714 0.75 RAB9A (0.39) MAPTHPGDNPSR1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7310519 0.74 RAB9A (0.38) MAPTHPGDNPSR1ALDH1A1SMN1; SMN2
SCHEMBL7312650 0.73 CA12 (0.35) MAPTHPGDNPSR1ALDH1A1MAPK1

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