SCHEMBL9166995

SCHEMBL9166995

O=C1C(=Cc2ccc(N(CCCl)CCCl)cc2)Cc2ccccc21

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.66
MAOA P21397 2/20 0.66
MIF P14174 7/20 0.61
ACHE P22303 3/20 0.57
BCHE P06276 1/20 0.57
PTGS2 P35354 2/20 0.56
CYP19A1 P11511 2/20 0.56
TNF P01375 2/20 0.56
STK17B O94768 1/20 0.52
HRH3 Q9Y5N1 1/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
CES2 O00748 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
SCHEMBL9168685 1.00 MAOB (0.66) MAOBMAOAMIFACHEBCHE
SCHEMBL1453992 0.85 MAOB (0.67) MAOBMAOAMIFACHEBCHE
SCHEMBL1453994 0.85 MAOB (0.67) MAOBMAOAMIFACHEBCHE
SCHEMBL3801973 0.84 MAOB (0.73) MAOBMAOAMIFACHEBCHE
SCHEMBL30298462 0.84 MAOB (0.73) MAOBMAOAMIFACHEBCHE
SCHEMBL16312876 0.84 MAOB (0.73) MAOBMAOAMIFACHEBCHE
SCHEMBL6681374 0.84 MAOB (0.73) MAOBMAOAMIFACHEBCHE
SCHEMBL9166494 0.84 MAOB (0.62) MAOBMAOAMIFACHEBCHE
SCHEMBL10134148 0.80 MAOB (0.74) MAOBMAOAMIFACHEBCHE
SCHEMBL14020185 0.80 MAOB (0.74) MAOBMAOAMIFACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0465105-B1 Non-linear optical material and non-linear optical devices HITACHI CHEMICAL CO LTD (JP) 1995-03-29 EP disclosed
US-5219496-A NON-LINEAR OPTICAL MATERIAL AND NON-LINEAR OPTICAL DEVICES HITACHI CHEMICAL COMPANY (JP) 1993-06-15 US disclosed
EP-0465105-A2 Non-linear optical material and non-linear optical devices Hitachi Chemical Co., Ltd. (JP) 1992-01-08 EP disclosed