SCHEMBL9861448

SCHEMBL9861448

Cc1ccc(C=C(Cl)Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.46
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
MDM2 Q00987 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CA1 P00915 1/20 0.43
ACHE P22303 2/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGS2 P35354 2/20 0.41
NFE2L2 Q16236 2/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL9985259 0.82 ALDH1A1 (0.50) RAB9ANPC1TDP1MAPTKDM4E
SCHEMBL28728616 0.78 TP53 (0.43) MAPTKDM4EPOLBNPSR1CA1
SCHEMBL10594845 0.77 ALDH1A1 (0.53) CYP2A6RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL3755558 0.76 ESR1 (0.54) RAB9ANPC1MAPTKDM4ERECQL
SCHEMBL3338993 0.76 CYP2A6 (0.48) CYP2A6RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL5056133 0.76 FBP1 (0.54) CYP2A6L3MBTL1ALDH1A1PTGS2GRIN2D
SCHEMBL17368414 0.75 AKR1C3 (0.45) CYP2A6RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL9160388 0.75 NFE2L2 (0.39) CYP2A6RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL9160393 0.75 NFE2L2 (0.39) CYP2A6RAB9ANPC1SMN1; SMN2TDP1
SCHEMBL10831971 0.74 CYP2A6 (0.46) CYP2A6RAB9ANPC1SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0032062-B2 HIGH-MOLECULAR-WEIGHT NOVOLAK SUBSTITUTED PHENOLIC RESINS AND THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-10-16 EP disclosed
EP-0396113-A2 Grafted olefin copolymers and polycarbonate blends modified with a grafted olefin copolymer THE DOW CHEMICAL COMPANY (US) 1990-11-07 EP disclosed
EP-0393641-A2 Pyridazinone derivatives OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1990-10-24 EP disclosed
EP-0032062-B1 HIGH-MOLECULAR-WEIGHT NOVOLAK SUBSTITUTED PHENOLIC RESINS AND THEIR PREPARATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-04-03 EP disclosed
US-4345054-A High-molecular-weight novolak types substituted phenolic resins and process for preparation thereof MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1982-08-17 US disclosed
EP-0032062-A2 High-molecular-weight novolak substituted phenolic resins and their preparation MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1981-07-15 EP disclosed