SCHEMBL2879124

SCHEMBL2879124

SCc1ccc(CS)c2ccccc12.SCc1cccc2c(CS)cccc12

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2D6 P10635 2/20 0.37
TDP1 Q9NUW8 1/20 0.35
ACP3 P15309 1/20 0.34
APOBEC3G Q9HC16 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL2845831 0.94 IDO1 (0.48) IDO1CYP1A2CYP2C19CYP2C9CYP2D6
SCHEMBL11822029 0.94 IDO1 (0.48) IDO1CYP1A2CYP2C19CYP2C9TDP1
SCHEMBL28899 0.84 CYP1A2 (0.58) IDO1CYP1A2CYP2C19CYP2C9CYP2D6
SCHEMBL131470 0.82 HPRT1 (0.58) CYP1A2CYP2C19CYP2C9CYP2D6TDP1
SCHEMBL3087747 0.80 IDO1 (0.59) IDO1CYP1A2TDP1
SCHEMBL3078326 0.80 CYP1A2 (0.59) IDO1CYP1A2CYP2C19CYP2D6KDM4E
SCHEMBL20710913 0.79 IDO1 (0.36) IDO1CYP1A2KDM4E
SCHEMBL29365799 0.78 IDO1 (0.63) IDO1CYP1A2CYP2D6APOBEC3G
SCHEMBL125429 0.78 IDO1 (0.63) IDO1CYP1A2CYP2D6APOBEC3G
SCHEMBL2877590 0.75 MAPK1 (0.41) IDO1CYP1A2

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-20100147768-A1 RENEWABLE SORBENT MATERIAL AND METHOD OF USE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF UNIVERSITY 2010-06-17 US disclosed