SCHEMBL9341399

SCHEMBL9341399

Cc1ccc(C=CC(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 10/20 1.00
▸ MAOA P21397 7/20 1.00
▸ CYP1B1 Q16678 2/20 0.73
▸ BCHE P06276 1/20 0.73
▸ MAPT P10636 4/20 0.73
▸ HSPD1 P10809 1/20 0.66
▸ HSPE1 P61604 1/20 0.66
▸ POLB P06746 1/20 0.65
▸ RAB9A P51151 1/20 0.65
▸ CTSL P07711 1/20 0.64
▸ CTSB P07858 1/20 0.64
▸ ALDH1A1 P00352 2/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ MAPK1 P28482 1/20 0.61
▸ RECQL P46063 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ KRAS P01116 1/20 0.60

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
SCHEMBL15807310 1.00 MAOB (1.00) MAOBMAOACYP1B1BCHEMAPT
SCHEMBL6733848 0.92 MAOB (0.85) MAOBMAOACYP1B1BCHEMAPT
SCHEMBL6733854 0.92 MAOB (0.85) MAOBMAOACYP1B1BCHEMAPT
SCHEMBL9136940 0.86 MAOB (0.80) MAOBMAOACYP1B1BCHEMAPT
SCHEMBL9136943 0.86 MAOB (0.80) MAOBMAOACYP1B1BCHEMAPT
SCHEMBL8965792 0.86 MAOB (0.76) MAOBMAOACYP1B1BCHEMAPT
SCHEMBL8977012 0.86 MAOB (0.76) MAOBMAOACYP1B1BCHEMAPT
SCHEMBL8977005 0.86 MAOB (0.76) MAOBMAOACYP1B1BCHEMAPT
SCHEMBL8965786 0.86 MAOB (0.76) MAOBMAOACYP1B1BCHEMAPT
SCHEMBL10910107 0.86 MAOB (0.75) MAOBMAOACYP1B1BCHEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328668-B1 NONLINEAR OPTICAL MATERIAL NIPPON OILS & FATS CO LTD (JP) 1994-05-25 — — EP claimed
US-5045239-A Chalcone derivative NIPPON OIL AND FATS CO., LTD. (JP) 1991-09-03 — — US claimed
EP-0328668-A1 NONLINEAR OPTICAL MATERIAL NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP claimed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP claimed
EP-0328668-B1 NONLINEAR OPTICAL MATERIAL NIPPON OILS & FATS CO LTD (JP) 1994-05-25 — — EP disclosed
US-5045239-A Chalcone derivative NIPPON OIL AND FATS CO., LTD. (JP) 1991-09-03 — — US disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
EP-0328668-A1 NONLINEAR OPTICAL MATERIAL NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
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