SCHEMBL5887835

SCHEMBL5887835

COc1ccc(C2=CC=CC[CH]2)c2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
EP300 Q09472 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
IMPDH2 P12268 1/20 0.39
IMPDH1 P20839 1/20 0.39
PRMT1 Q99873 1/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
PABPC1 P11940 1/20 0.37
XBP1 P17861 1/20 0.37
NFKB1 P19838 1/20 0.37
HTT P42858 1/20 0.37
SMARCA2 P51531 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
NQO1 P15559 1/20 0.37

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
SCHEMBL28271956 0.76 IDO1 (0.46) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL5887237 0.74 MAPT (0.37) MAPTKMT2AKDM4EALDH1A1LMNA
SCHEMBL12019841 0.73 IDO1 (0.64) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL12019777 0.73 IDO1 (0.64) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL7753164 0.73 IDO1 (0.64) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL6047603 0.72
SCHEMBL29380721 0.71 IDO1 (0.73) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL419307 0.71 IDO1 (0.73) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL6047631 0.70 IDO1 (0.40) IDO1EP300KAT8IMPDH2IMPDH1
SCHEMBL12019868 0.69 IDO1 (0.59) IDO1EP300KAT8IMPDH2IMPDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7037931-B2 Corticotropin releasing factor moderator; analgesics; drug abruse, drug dependency; schizophrenia JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-02 US claimed