SCHEMBL9067745

SCHEMBL9067745

COc1cccc2c(C)ccc(N)c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
EP300 Q09472 1/20 0.47
KAT8 Q9H7Z6 1/20 0.47
ALDH1A1 P00352 3/20 0.45
TDP1 Q9NUW8 3/20 0.45
ADRA2B P18089 1/20 0.45
PTGS1 P23219 1/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
BLM P54132 1/20 0.45
MCL1 Q07820 1/20 0.45
DCPS Q96C86 1/20 0.41
ANTXR2 P58335 1/20 0.40
MAOA P21397 1/20 0.40
NQO2 P16083 2/20 0.39
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL11564965 0.85 IDO1 (0.53) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL13759886 0.84 MAOA (0.44) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL9404194 0.80 ALDH1A1 (0.48) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL17402717 0.78 CYP1A2 (0.52) ALDH1A1TDP1MEN1KMT2AKDM4E
SCHEMBL17069651 0.78 MAOA (0.40) ALDH1A1TDP1MEN1KMT2ALMNA
SCHEMBL14176625 0.75 USP2 (0.46) IDO1EP300KAT8ALDH1A1MEN1
SCHEMBL11618652 0.75 IDO1 (0.64) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL1806702 0.74 AURKA (0.63) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL13241193 0.73 ALDH1A1 (0.45) IDO1EP300KAT8ALDH1A1TDP1
SCHEMBL11808700 0.73 IDO1 (0.54) IDO1EP300KAT8ALDH1A1TDP1

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
EP-0326223-B1 Copolymer composition SHELL INT RESEARCH (NL) 1996-05-08 EP disclosed
CN-1034740-A Copolymer compositions SHELL INT RESEARCH (NL) 1989-08-16 CN disclosed
EP-0326223-A2 Copolymer composition SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1989-08-02 EP disclosed
US-4795774-A OXIDATION RESISTANCE BY INCORPORATING AN AROMATIC AMINE STABILIZER SHELL OIL COMPANY (US) 1989-01-03 US disclosed