SCHEMBL30745891

SCHEMBL30745891

CS(=O)(=O)c1cc(NC(=O)c2ccc(OCCc3ccc(OC(F)(F)F)cc3)cc2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 6/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ LMNA P02545 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ TRPV1 Q8NER1 4/20 0.51
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ EPHX2 P34913 1/20 0.46
▸ NR1H4 Q96RI1 1/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL29279812 1.00 PPARA (0.56) PPARASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL29279870 0.90 MEN1 (0.56) SMN1; SMN2LMNAMEN1KMT2AMAPK1
SCHEMBL29279811 0.90 MEN1 (0.56) SMN1; SMN2LMNAMEN1KMT2AMAPK1
SCHEMBL29279989 0.90 PPARA (0.48) PPARASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL30745905 0.89 SMN1; SMN2 (0.47) PPARASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL30745911 0.89 PPARA (0.50) PPARASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL30745878 0.89 TRPV1 (0.47) PPARASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL29279995 0.89 TRPV1 (0.47) PPARASMN1; SMN2LMNAMEN1KMT2A
SCHEMBL29280017 0.89 SMN1; SMN2 (0.65) SMN1; SMN2LMNAMEN1KMT2AMAPK1
SCHEMBL29280021 0.88 LMNA (0.52) PPARASMN1; SMN2LMNAMEN1KMT2A

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-117682973-A Sulfonamide compound and medical application thereof 中国药科大学 2024-03-12 — — CN disclosed
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