SCHEMBL25759474

SCHEMBL25759474

Cc1cc(C(=O)c2ccc(F)c(S(=O)(=O)O)c2)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PIM1 P11309 1/20 0.40
PTK2B Q14289 1/20 0.39
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
MITF O75030 1/20 0.37
POLB P06746 1/20 0.37
TP53 P04637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HSD17B14 Q9BPX1 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
TET2 Q6N021 1/20 0.36
MAOA P21397 1/20 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
SCHEMBL28556564 0.91 HSD17B1 (0.40) HSD17B1HSD17B2HTTSMN1; SMN2PIM1
SCHEMBL14488203 0.90 HSD17B1 (0.42) HSD17B1HSD17B2HTTSMN1; SMN2PTK2B
SCHEMBL250118 0.90 PTK2B (0.45) HSD17B1HSD17B2SMN1; SMN2PTK2BLMNA
SCHEMBL14547178 0.88 PTK2B (0.44) HSD17B1HSD17B2SMN1; SMN2PTK2BTDP1
SCHEMBL1682113 0.88 PTK2B (0.44) HSD17B1HSD17B2SMN1; SMN2PTK2BLMNA
SCHEMBL2489571 0.88 PTK2B (0.44) HSD17B1HSD17B2SMN1; SMN2PTK2BLMNA
SCHEMBL1681521 0.88 PTK2B (0.44) HSD17B1HSD17B2SMN1; SMN2PTK2BLMNA
SCHEMBL2176795 0.88 PTK2B (0.44) HSD17B1HSD17B2SMN1; SMN2PTK2BLMNA
SCHEMBL4355959 0.84 SMN1; SMN2 (0.53) HSD17B1HSD17B2HTTSMN1; SMN2PIM1
SCHEMBL250982 0.83 LTA4H (0.46) HSD17B1HSD17B2SMN1; SMN2PTK2BLMNA

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-20230216082-A1 POLYELECTROLYTE COMPOSITES FIRST-CITIZENS BANK & TRUST COMPANY 2023-07-06 US disclosed