SCHEMBL27618573

SCHEMBL27618573

COc1cccc(-c2cccc([N+](=O)[O-])c2)c1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 1/20 0.57
▸ AKR1C3 P42330 1/20 0.53
▸ AKR1C2 P52895 1/20 0.53
▸ MAPT P10636 7/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ATM Q13315 1/20 0.47
▸ LMNA P02545 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ HTT P42858 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46

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
SCHEMBL3787713 0.87 AKR1C3 (0.60) AKR1C3AKR1C2MAPTKDM4EATM
SCHEMBL4325597 0.80 AKR1C3 (0.55) AKR1C3AKR1C2MAPTKDM4EATM
SCHEMBL3466908 0.77 TSHR (0.54) AKR1C3AKR1C2MAPTALDH1A1HTT
SCHEMBL3787842 0.76 AKR1C3 (0.52) AKR1C3AKR1C2MAPTKDM4EATM
SCHEMBL3791466 0.76 MGAM (0.53) AKR1C3AKR1C2MAPTKDM4EATM
SCHEMBL8070772 0.76 AKR1C3 (0.52) AKR1C3AKR1C2MAPTKDM4EATM
SCHEMBL3788452 0.76 MAPT (0.54) AKR1C3AKR1C2MAPTLMNASMN1; SMN2
SCHEMBL16076893 0.76 AKR1C3 (0.65) AKR1C3AKR1C2SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL5004567 0.75 ALDH1A1 (0.55) MAPTLMNASMN1; SMN2HPGDALDH1A1
SCHEMBL8802211 0.75 AKR1C3 (0.54) AKR1C3AKR1C2MAPTKDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100386305-C Process for preparing 2-chloro-5-nitro phenyl -4'-methoxy benzophenone SHANGHAI CHEMICAL REAGENT RES (CN) 2008-05-07 — — CN claimed
CN-1721388-A Process for preparing 2-chloro-5-nitro phenyl -4'-methoxy benzophenone SHANGHAI CHEMICAL REAGENT RES (CN) 2006-01-18 — — CN claimed
CN-100386305-C Process for preparing 2-chloro-5-nitro phenyl -4'-methoxy benzophenone SHANGHAI CHEMICAL REAGENT RES (CN) 2008-05-07 — — CN disclosed
CN-1721388-A Process for preparing 2-chloro-5-nitro phenyl -4'-methoxy benzophenone SHANGHAI CHEMICAL REAGENT RES (CN) 2006-01-18 — — CN disclosed
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