SCHEMBL24928206

SCHEMBL24928206

COC(=O)c1cc2csc(Br)c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.44
ALDH1A1 P00352 3/20 0.44
PTPN2 P17706 1/20 0.42
KDM4E B2RXH2 5/20 0.40
MAPT P10636 5/20 0.40
HDAC1 Q13547 3/20 0.39
MAPK1 P28482 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CSNK2A2 P19784 1/20 0.37
KDR P35968 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
OPRD1 P41143 1/20 0.36
NPSR1 Q6W5P4 4/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 2/20 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
SCHEMBL23424463 0.88 CES2 (0.34) HPGDALDH1A1PTPN2HDAC1LMNA
SCHEMBL23388792 0.83 GPR35 (0.47) ALDH1A1PTPN2KDM4EMAPTHDAC1
SCHEMBL24928227 0.78 PTPN2 (0.39) ALDH1A1PTPN2KDM4EMAPTHDAC1
SCHEMBL18434899 0.77 CES2 (0.35) HDAC1TSHRHDAC3HDAC4HDAC7
SCHEMBL15203667 0.74 CSNK2A2 (0.49) HPGDALDH1A1PTPN2KDM4EMAPT
SCHEMBL23317050 0.74 STING1 (0.33) ALDH1A1SMN1; SMN2
SCHEMBL12622629 0.73 CSNK2A2 (0.45) HPGDALDH1A1PTPN2KDM4EMAPT
SCHEMBL18541436 0.73 HPGD (0.43) HPGDALDH1A1PTPN2KDM4EMAPT
SCHEMBL1091054 0.73 HPGD (0.54) HPGDALDH1A1PTPN2KDM4EMAPT
SCHEMBL31222018 0.73 OPRD1 (0.44) HPGDALDH1A1PTPN2KDM4EMAPT

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-20230021795-A1 METHODS OF PREPARING REGIOREGULAR CONJUGATED POLYMERS THE UNIVERSITY OF CHICAGO 2023-01-26 US disclosed