SCHEMBL28307459

SCHEMBL28307459

O=[SH](=O)Cc1nc(-c2cccc(Oc3ccccc3)c2)cc(C(F)(F)F)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SDHB P21912 2/20 0.60
MAPT P10636 4/20 0.45
LOX P28300 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.45
CYP1A2 P05177 3/20 0.43
CYP2C9 P11712 3/20 0.43
CYP2C19 P33261 3/20 0.43
HSD17B10 Q99714 7/20 0.42
KDM4E B2RXH2 6/20 0.42
ADORA2A P29274 1/20 0.41
TSHR P16473 3/20 0.41
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 4/20 0.41
MAPK1 P28482 3/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL28306275 0.87 MAPT (0.47) SDHBMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL28874911 0.86 HSD17B10 (0.55) SDHBMAPTCYP1A2CYP2C19HSD17B10
SCHEMBL28307429 0.84 SDHB (0.60) SDHBMAPTLOXLOXL2CYP1A2
SCHEMBL28306273 0.82 NT5E (0.43) SDHBMAPTHSD17B10KDM4EADORA2A
SCHEMBL28306459 0.81 SDHB (0.41) SDHBCYP2C19HSD17B10KDM4ECYP3A4
SCHEMBL28874912 0.81 SDHB (0.58) SDHBMAPTCYP1A2CYP2C19HSD17B10
SCHEMBL28306393 0.78 SYK (0.46) SDHBMAPTHSD17B10KDM4EMAPK1
SCHEMBL28306266 0.78 ALPL (0.45) SDHBHSD17B10KDM4EADORA2A
SCHEMBL28306355 0.77 SDHB (0.63) SDHBMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL28307443 0.77 KDM4E (0.49) SDHBMAPTCYP1A2CYP2C9CYP2C19

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
CN-110023292-A Apoptosis inhibitor 北京生命科学研究所 2019-07-16 CN disclosed