SCHEMBL28071986

SCHEMBL28071986

NCc1ccc(-c2cccc3scnc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.50
LOXL2 Q9Y4K0 1/20 0.44
ADRB2 P07550 1/20 0.43
LTA4H P09960 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
TAAR1 Q96RJ0 4/20 0.40
AKT2 P31751 1/20 0.37
CYP2A6 P11509 1/20 0.37
SGK1 O00141 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
PDCD1 Q15116 1/20 0.33
TLR8 Q9NR97 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL20379558 0.83 NAMPT (0.46) NAMPTTAAR1ALDH1A1HSD17B10KDM4E
SCHEMBL12637453 0.81 NAMPT (0.47) NAMPTALDH1A1HSD17B10KDM4ENPC1
SCHEMBL926871 0.81 NAMPT (0.46) NAMPTCYP2A6ALDH1A1HSD17B10KDM4E
SCHEMBL1876379 0.80 NAMPT (0.46) NAMPTALDH1A1HSD17B10KDM4ENPC1
SCHEMBL27712078 0.80 NAMPT (0.46) NAMPTAKT2ALDH1A1HSD17B10KDM4E
SCHEMBL24155552 0.80 NAMPT (0.46) NAMPTALDH1A1HSD17B10SMN1; SMN2
SCHEMBL12637454 0.77 NAMPT (0.44) NAMPTALDH1A1HSD17B10
SCHEMBL28071987 0.77 DPP4 (0.43) NAMPTLOXL2CYP2A6ALDH1A1HSD17B10
SCHEMBL29053692 0.76 NAMPT (0.44) NAMPTALDH1A1HSD17B10KDM4ENPC1
SCHEMBL1880384 0.76 NAMPT (0.46) NAMPTALDH1A1HSD17B10KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105820135-A Synthesis method of fluorescent whitening agent OB-1 浙江珊瑚化工有限公司 2016-08-03 CN claimed
CN-105820135-A Synthesis method of fluorescent whitening agent OB-1 浙江珊瑚化工有限公司 2016-08-03 CN disclosed