SCHEMBL7306466

SCHEMBL7306466

O=Cc1c(OCCCC(=O)Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
RECQL P46063 2/20 0.47
ALDH1A1 P00352 7/20 0.43
MAPT P10636 4/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 2/20 0.42
KCNH2 Q12809 1/20 0.42
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 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
SCHEMBL7318286 0.96 RAB9A (0.46) RAB9ANPC1RECQLALDH1A1MAPT
SCHEMBL7312485 0.95 NPC1 (0.44) RAB9ANPC1RECQLALDH1A1MAPT
SCHEMBL7308438 0.88 NPC1 (0.48) RAB9ANPC1RECQLALDH1A1MAPT
Hydrochloric Acid SCHEMBL7306474 0.87 NPC1 (0.47) RAB9ANPC1RECQLALDH1A1MAPT
SCHEMBL7319534 0.85 NPC1 (0.47) RAB9ANPC1RECQLALDH1A1MAPT
Hydrochloric Acid SCHEMBL7318295 0.84 NPC1 (0.46) RAB9ANPC1RECQLALDH1A1MAPT
SCHEMBL7314687 0.84 ALDH1A1 (0.38) RAB9ANPC1RECQLALDH1A1MAPT
SCHEMBL7304281 0.84 NPC1 (0.46) RAB9ANPC1RECQLALDH1A1MAPT
SCHEMBL7309641 0.83 L3MBTL1 (0.50) RAB9ANPC1RECQLALDH1A1MAPT
SCHEMBL7307717 0.82 ALDH1A1 (0.37) RAB9ANPC1RECQLALDH1A1MAPT

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