SCHEMBL7875188

SCHEMBL7875188

Cc1cc([N+](=O)[O-])ccc1Nc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 2/20 0.56
CTSL P07711 2/20 0.56
MAPT P10636 9/20 0.56
KMT2A Q03164 7/20 0.56
MEN1 O00255 6/20 0.56
MAPK1 P28482 2/20 0.56
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
GFER P55789 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CRHBP P24387 1/20 0.52
CYP2C19 P33261 1/20 0.52
CRHR2 Q13324 1/20 0.52
ALDH1A1 P00352 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL11337250 0.86 MAPT (0.68) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL6652239 0.85 CTSV (0.80) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL6657520 0.85 CTSV (0.56) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL5174834 0.85 MAPT (0.75) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL6657107 0.82 HCAR3 (0.67) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL6652907 0.81 BCL6 (0.56) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL19221483 0.81 L3MBTL1 (0.57) MAPTKMT2AMEN1MAPK1GFER
SCHEMBL13456395 0.81 MAPT (0.54) CTSVCTSLMAPTKMT2AMEN1
SCHEMBL27480927 0.80 HPGD (0.55) MAPTKMT2AMEN1MAPK1AKR1C3
SCHEMBL6653484 0.80 LMNA (0.65) MAPTKMT2AMEN1MAPK1AKR1C3

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
CN-1188388-C Aminobenzophenones as inhibitors of interleukin and TNF LEO PHARM PROD LTD (DK) 2005-02-09 CN disclosed
US-6313174-B1 FOR THERAPY AND PROPHYLAXIS OF ASTHMA, ALLERGY, RHEUMATOID ARTHRITIS, SPONDYLOARTHRITIS, GOUT, ATHEROSCLEROSIS, CHRONIC INFLAMMATORY BOWEL DISEASE, PROLIFERATIVE AND INFLAMMATORY SKIN DISORDERS Leo Pharmaceutical Products Ltd.A/S/ (Løvens kemiske Fabrik Produktionsaktieselskab) (DK) 2001-11-06 US disclosed