SCHEMBL24465360

SCHEMBL24465360

O=C(NS(=O)(=O)C(F)(F)F)c1cc(C2CO2)c2ccccc2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.40
CCR2 P41597 1/20 0.38
PIN1 Q13526 1/20 0.37
KDM1A O60341 3/20 0.36
VCP P55072 1/20 0.36
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
LTB4R Q15722 5/20 0.34
MAOA P21397 1/20 0.34
PTGFR P43088 1/20 0.34
PTPN1 P18031 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HTR7 P34969 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
SCHEMBL24465365 0.75 HTR7 (0.42) CCR2VCPSCN5ASCN9APTGFR
SCHEMBL26163131 0.74 VCP (0.39) MCL1CCR2PIN1VCPSCN5A
SCHEMBL24453050 0.74
SCHEMBL24465385 0.74 LTB4R (0.31) LTB4R
SCHEMBL22503259 0.73 KMT2A (0.47) MCL1CCR2PIN1VCPSCN5A
SCHEMBL22503291 0.72 MCL1 (0.45) MCL1CCR2PIN1VCPSCN5A
SCHEMBL22503295 0.72 MEN1 (0.49) MCL1CCR2PIN1VCPSCN5A
SCHEMBL22503277 0.70 MCL1 (0.43) MCL1CCR2PIN1VCPSCN5A
SCHEMBL178335 0.69 HDAC3 (0.52) VCPSCN5ASCN9AMAOAPTPN1
SCHEMBL22503161 0.67 MMP3 (0.56) MCL1PIN1HDAC8

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
EP-4006921-A2 BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, METHOD FOR MANUFACTURING BIO-ELECTRODE, AND REACTION COMPOSITE Shin-Etsu Chemical Co., Ltd. (JP) 2022-06-01 EP disclosed