SCHEMBL6160833

SCHEMBL6160833

O=C(CNc1cccc([N+](=O)[O-])c1)OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.64
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPC1 O15118 1/20 0.52
PPIA P62937 1/20 0.51
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50

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
SCHEMBL641425 0.83 MEN1 (0.59) ALDH1A1SMN1; SMN2MEN1KMT2ANPC1
SCHEMBL13915753 0.82 ALDH1A1 (0.67) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL3288477 0.81 MEN1 (0.65) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL62534 0.81 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL8534736 0.81 RAB9A (0.87) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL6348211 0.80 RAB9A (0.64) RAB9AALDH1A1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL8172216 0.80 MEN1 (0.64) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL6192945 0.80 MAPT (0.61) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1797099 0.80 MAPT (0.61) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL27368126 0.79 ALDH1A1 (0.58) ALDH1A1MEN1KMT2AMAPTLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
CN-1325385-A Gastrin and cholecystokinin receptor ligands BLACK JAMES FOUNDATION (GB) 2001-12-05 CN disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed