SCHEMBL7311708

SCHEMBL7311708

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.37
MAPT P10636 8/20 0.34
ALDH1A1 P00352 5/20 0.34
POLB P06746 1/20 0.34
PRSS1 P07477 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
HPGD P15428 4/20 0.34
LMNA P02545 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
NPC1 O15118 1/20 0.34
ENPP2 Q13822 1/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 2/20 0.32

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
SCHEMBL7310516 0.99 RAB9A (0.37) RAB9AMAPTALDH1A1POLBPRSS1
SCHEMBL7306297 0.96 RAB9A (0.38) RAB9AMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL7316795 0.90 RAB9A (0.40) RAB9AMAPTALDH1A1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL7311714 0.89 RAB9A (0.39) RAB9AMAPTALDH1A1POLBPRSS1
SCHEMBL7320935 0.89 RAB9A (0.39) RAB9AMAPTALDH1A1POLBPRSS1
Hydrochloric Acid SCHEMBL7310519 0.88 RAB9A (0.38) RAB9AMAPTALDH1A1POLBPRSS1
SCHEMBL7321191 0.87 MAPT (0.37) RAB9AMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL7309608 0.86 RAB9A (0.43) RAB9AMAPTALDH1A1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL7306304 0.85 RAB9A (0.42) RAB9AMAPTALDH1A1POLBSMN1; SMN2
SCHEMBL7318640 0.85 L3MBTL1 (0.38) RAB9AMAPTALDH1A1POLBSMN1; SMN2

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