SCHEMBL27205322

SCHEMBL27205322

Cc1ccc(S(=O)(=O)O)c(-c2c(C)cc(NC(=O)Nc3ccccc3)cc2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 1/20 0.48
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ IDH1 O75874 3/20 0.46
▸ KCNJ6 P48051 1/20 0.46
▸ KCNJ5 P48544 1/20 0.46
▸ KCNJ3 P48549 1/20 0.46
▸ MAPT P10636 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.44
▸ EPHX2 P34913 2/20 0.43
▸ TP53 P04637 1/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CLK4 Q9HAZ1 1/20 0.42

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
SCHEMBL26606060 0.85 CXCR2 (0.50) CXCR2RAB9ANPC1SMN1; SMN2IDH1
SCHEMBL26606067 0.82 CXCR2 (0.58) CXCR2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL21810519 0.82 MGLL (0.52) CXCR2RAB9ANPC1SMN1; SMN2KCNJ6
SCHEMBL26606047 0.78 PTPN7 (0.50) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL26606107 0.78 CNR1 (0.54) RAB9ANPC1SMN1; SMN2MAPTMEN1
SCHEMBL26605995 0.78 SAE1 (0.54) RAB9ANPC1SMN1; SMN2IDH1KMT2A
SCHEMBL26606017 0.78 CXCR2 (0.51) CXCR2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL26606079 0.77 DDX3X (0.51) CXCR2RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL26605998 0.76 CNR1 (0.52) RAB9ANPC1SMN1; SMN2IDH1MAPT
SCHEMBL26606012 0.76 SMN1; SMN2 (0.53) CXCR2RAB9ANPC1SMN1; SMN2IDH1

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-3395583-B1 HEAT-SENSITIVE RECORDING MATERIAL NIPPON KAYAKU KK (JP) 2024-03-27 — — EP disclosed
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