SCHEMBL7574965

SCHEMBL7574965

CCCCC(=O)Nc1ccc(C(=O)ON2CCOCC2)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.51
KMT2A Q03164 4/20 0.51
CRHBP P24387 2/20 0.51
CRHR2 Q13324 2/20 0.51
MEN1 O00255 1/20 0.51
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 3/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 2/20 0.45
NPC1 O15118 2/20 0.44
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HCAR3 P49019 2/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL9192581 0.82 MAPT (0.64) MAPTKMT2ACRHBPCRHR2MEN1
SCHEMBL9035476 0.80 LMNA (0.61) MAPTKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL9043092 0.80 KMT2A (0.72) MAPTKMT2ACRHBPCRHR2MEN1
Morpholine SCHEMBL7574967 0.78 HCAR3 (0.55) MAPTKMT2ACRHBPCRHR2MEN1
SCHEMBL7568813 0.78 HCAR3 (0.69) MAPTKMT2ACRHBPCRHR2MEN1
SCHEMBL7572903 0.74 MAPT (0.56) MAPTKMT2ACRHBPCRHR2MEN1
SCHEMBL9195505 0.74 MAPT (0.55) MAPTKMT2ACRHBPCRHR2MEN1
SCHEMBL8396995 0.73 NPC1 (0.72) MAPTKMT2ACRHBPCRHR2MEN1
SCHEMBL12388226 0.73 MAPT (0.56) MAPTKMT2ACRHBPCRHR2MEN1
SCHEMBL8391902 0.72 MAPT (0.78) MAPTKMT2ACRHBPCRHR2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685470-B1 Benzene derivatives and pharmaceutical composition KUREHA CHEMICAL IND CO LTD (JP) 2002-09-11 EP disclosed
EP-0685470-A2 Benzene derivatives and pharmaceutical composition Kureha Chemical Industry Co., Ltd. (JP) 1995-12-06 EP disclosed