SCHEMBL5315342

SCHEMBL5315342

CCCNc1ccc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.81
ALDH1A1 P00352 3/20 0.81
RAB9A P51151 2/20 0.81
NPC1 O15118 1/20 0.81
PKM P14618 1/20 0.81
CRHBP P24387 1/20 0.81
CRHR2 Q13324 1/20 0.81
HCAR3 P49019 5/20 0.76
PTGER4 P35408 1/20 0.68
LMNA P02545 1/20 0.60
KMT2A Q03164 3/20 0.59
MEN1 O00255 1/20 0.56
VCAM1 P19320 1/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL9192588 0.91 HCAR3 (0.77) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL1306790 0.89 MAPT (0.65) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL2248076 0.89 HCAR3 (0.74) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL1306733 0.88 MAPT (0.64) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL2246295 0.88 MAPT (0.64) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL2252228 0.88 MAPT (0.82) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL20797593 0.87 MAPT (0.73) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL3720388 0.87 MAPT (0.74) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL2688335 0.86 HCAR3 (1.00) MAPTALDH1A1RAB9ANPC1PKM
SCHEMBL9725412 0.86 ALDH1A1 (0.63) MAPTALDH1A1RAB9ANPC1PKM

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
WO-2007069053-A1 BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-06-21 WO disclosed