SCHEMBL1436096

SCHEMBL1436096

C#Cc1nc2ccccc2s1.[Cu]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HSD17B10 Q99714 2/20 0.47
ADRA2A P08913 1/20 0.47
FBP1 P09467 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
DRD2 P14416 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
DRD1 P21728 1/20 0.47
MC5R P33032 1/20 0.47
OPRM1 P35372 1/20 0.47
DRD3 P35462 1/20 0.47
OPRK1 P41145 1/20 0.47
CCR2 P41597 1/20 0.47
HTR6 P50406 1/20 0.47
SLC6A3 Q01959 1/20 0.47
PDK1 Q15118 1/20 0.47

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
SCHEMBL15874315 0.98 IDO1 (0.50) IDO1ALDH1A1HSD17B10ADRA2AFBP1
SCHEMBL29800442 0.98 IDO1 (0.50) IDO1ALDH1A1HSD17B10ADRA2AFBP1
SCHEMBL221981 0.78 ALDH1A1 (0.51) IDO1ALDH1A1HSD17B10ADRA2AFBP1
SCHEMBL492446 0.78 PSMB8 (0.53) IDO1ALDH1A1HSD17B10ADRA2AFBP1
SCHEMBL30938811 0.78 PSMB8 (0.53) IDO1ALDH1A1HSD17B10ADRA2AFBP1
SCHEMBL719079 0.78 IDO1 (0.50) IDO1ALDH1A1HSD17B10ADRA2AFBP1
SCHEMBL3096380 0.78 IDO1 (0.50) IDO1ALDH1A1HSD17B10ADRA2AFBP1
SCHEMBL5092877 0.78 IDO1 (0.50) IDO1ALDH1A1HSD17B10ADRA2AFBP1
SCHEMBL27890456 0.73 NPC1 (0.47) IDO1ALDH1A1HSD17B10ADRA2AFBP1
SCHEMBL27892930 0.72 RAB9A (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278243-B2 Laser imaging DATALASE LTD. (GB) 2012-10-02 US disclosed
EP-1704057-B1 LASER IMAGING DATALASE LTD (GB) 2011-03-30 EP disclosed
US-20100075848-A1 Laser Imaging DATALASE LTD. (GB) 2010-03-25 US disclosed
EP-1704057-A1 LASER IMAGING Sherwood Technology LTD. (GB) 2006-09-27 EP disclosed
WO-2005068207-A1 LASER IMAGING DATALASE LTD. (GB) 2005-07-28 WO disclosed