SCHEMBL31550100

SCHEMBL31550100

COC(=O)c1cc2cc(OC(C)C)cc(Br)c2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.43
HPGD P15428 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 4/20 0.38
MAPT P10636 4/20 0.38
ULK1 O75385 1/20 0.38
OPRD1 P41143 1/20 0.37
LMNA P02545 1/20 0.36
CSNK2A2 P19784 1/20 0.35
KDR P35968 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
MAPK1 P28482 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
HDAC1 Q13547 1/20 0.35
STING1 Q86WV6 2/20 0.34
RAB9A P51151 2/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL31550095 1.00 PTPN2 (0.43) PTPN2HPGDALDH1A1KDM4EMAPT
SCHEMBL31550156 0.89 ALDH1A1 (0.40) PTPN2ALDH1A1KDM4EMAPTHSD17B10
SCHEMBL31222018 0.87 OPRD1 (0.44) PTPN2HPGDALDH1A1KDM4EMAPT
SCHEMBL31550161 0.86 PTPN2 (0.46) PTPN2HPGDALDH1A1KDM4EMAPT
SCHEMBL31550038 0.85 PARP10 (0.40) PTPN2ALDH1A1CSNK2A2KDRCSNK2B
SCHEMBL12135685 0.79 XDH (0.49) PTPN2HPGDALDH1A1KDM4EMAPT
SCHEMBL31550045 0.78 PTPN2 (0.43) PTPN2HPGDALDH1A1KDM4EMAPT
SCHEMBL31550231 0.76 STING1 (0.36) PTPN2HPGDALDH1A1KDM4EHDAC1
SCHEMBL31550323 0.76 MAPT (0.42) PTPN2HPGDALDH1A1KDM4EMAPT
SCHEMBL1091054 0.76 HPGD (0.54) PTPN2HPGDALDH1A1KDM4EMAPT

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-119954793-A Compounds as xanthine oxidase inhibitors and uses thereof 广州市联瑞制药有限公司 2025-05-09 CN disclosed