SCHEMBL31339488

SCHEMBL31339488

Fc1ccc(F)c(-c2ccc(Cl)cc2Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
KDM4E B2RXH2 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
AHR P35869 1/20 0.45
HSD11B1 P28845 2/20 0.45
AQP1 P29972 2/20 0.42
GCGR P47871 1/20 0.40
MAPK14 Q16539 1/20 0.40
CNR1 P21554 1/20 0.40
PTPN1 P18031 1/20 0.39
NISCH Q9Y2I1 1/20 0.39
LMNA P02545 1/20 0.39
DPP4 P27487 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37

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
SCHEMBL31339485 1.00 TP53 (0.47) TP53KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL13907547 0.82 TSHR (0.50) TP53KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL21668964 0.82 CA9 (0.50) NPC1SMN1; SMN2CNR1TAS1R3TAS1R1
SCHEMBL11637227 0.79 HSD11B1 (0.61) TP53KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL30543346 0.79 PTPN1 (0.50) HSD11B1MAPK14PTPN1DPP4ALDH1A1
SCHEMBL29624840 0.79 AHR (0.64) TP53KDM4ERAB9AAHRHSD11B1
SCHEMBL464507 0.79 AHR (0.64) TP53KDM4ERAB9AAHRHSD11B1
SCHEMBL9766850 0.79 CA9 (0.52) PTPN1ALDH1A1
SCHEMBL6069435 0.78 CNR1 (0.47) TP53KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL4959585 0.78 NR3C1 (0.47) TP53KDM4ERAB9ANPC1SMN1; SMN2

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-119361834-A Electrolyte and battery and electricity utilization device containing same 浙江大学 2025-01-24 CN claimed