SCHEMBL20100980

SCHEMBL20100980

Sc1ccc(-c2ccc(-c3ccc(Cl)cc3)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.81
CYP1A2 P05177 1/20 0.55
LMNA P02545 3/20 0.50
CYP2A6 P11509 1/20 0.50
AHR P35869 2/20 0.48
ALOX5 P09917 1/20 0.44
MAOB P27338 1/20 0.41
HDAC2 Q92769 1/20 0.39
KIF11 P52732 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 3/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NOTUM Q6P988 1/20 0.36
POLB P06746 1/20 0.36
PTPN11 Q06124 1/20 0.36

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
SCHEMBL6788619 1.00 IDO1 (0.81) IDO1CYP1A2LMNACYP2A6AHR
SCHEMBL48247 0.90
SCHEMBL6512873 0.87
SCHEMBL7735432 0.87
SCHEMBL29594473 0.87 IDO1 (0.93) IDO1CYP1A2LMNACYP2A6TSHR
SCHEMBL6517161 0.87
SCHEMBL5562378 0.87
SCHEMBL11540372 0.87
SCHEMBL25437316 0.87 CYP1A2 (0.69) IDO1CYP1A2LMNACYP2A6AHR
SCHEMBL4687460 0.85 IDO1 (0.59) IDO1CYP1A2LMNACYP2A6AHR

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-20180117942-A1 PRINTING PLATE PRECURSOR, PLANOGRAPHIC PRINTING PLATE, BLANK PLATE FOR PRINTING, AND LAMINATE THEREOF FUJIFILM CORPORATION (JP) 2018-05-03 US disclosed