SCHEMBL7572903

SCHEMBL7572903

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

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 1/20 0.56
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
HCAR3 P49019 4/20 0.51
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL7568813 0.85 HCAR3 (0.69) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL9192581 0.83 MAPT (0.64) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL9043092 0.81 KMT2A (0.72) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL5591787 0.81 HCAR3 (0.65) MAPTKMT2ACRHBPCRHR2NPC1
SCHEMBL7568209 0.81 HDAC3 (0.50) MAPT
SCHEMBL8396995 0.80 NPC1 (0.72) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL12388226 0.80 MAPT (0.56) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL8391902 0.77 MAPT (0.78) MAPTKMT2AMEN1CRHBPCRHR2
SCHEMBL9188252 0.77 CASP6 (0.57) MAPTHCAR3LMNACYP1A2TDP1
Morpholine SCHEMBL7574967 0.76 HCAR3 (0.55) MAPTKMT2AMEN1CRHBPCRHR2

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