SCHEMBL9811799

SCHEMBL9811799

O=C1c2ccccc2Cc2c(Cl)c(Cl)c3ccccc3c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.48
CES1 P23141 2/20 0.46
BCHE P06276 2/20 0.46
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
MAP3K9 P80192 5/20 0.39
MAP3K11 Q16584 5/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MIF P14174 2/20 0.38

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
SCHEMBL260885 0.83 MAOA (0.55) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL10944994 0.81 MAOA (0.53) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL1985142 0.77 MAOA (0.48) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL11662031 0.75 MAOA (0.50) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL8012706 0.74 MAOA (0.53) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL9356907 0.74 CES1 (0.46) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL9770126 0.73 MAP3K9 (0.42) MAOACES1BCHEALDH1A1CA1
SCHEMBL10703055 0.71 MAOA (0.59) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL11799939 0.71 ACHE (0.43) MAOACES1BCHEALDH1A1CYP1A2
SCHEMBL11145048 0.71 MAOA (0.44) MAOACES1BCHEALDH1A1CYP1A2

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
US-5069999-A PRESENSITIZED FUJI PHOTO FILM CO., LTD. (JP) 1991-12-03 US claimed
US-4083725-A CINNAMIC ACID PHOTOSENSITIVE RESIN AND A HALOGEN SUBSTITUTED BENZANTHRONE SENSITIZER MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1978-04-11 US claimed
US-5069999-A PRESENSITIZED FUJI PHOTO FILM CO., LTD. (JP) 1991-12-03 US disclosed