SCHEMBL8869067

SCHEMBL8869067

O=C(NCCO)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 6/20 0.53
▸ FFAR1 O14842 2/20 0.53
▸ FFAR4 Q5NUL3 1/20 0.53
▸ MCL1 Q07820 1/20 0.49
▸ CACNA1B Q00975 1/20 0.47
▸ SCN9A Q15858 1/20 0.47
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ MMP2 P08253 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ GRM4 Q14833 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ CCR2 P41597 1/20 0.46
▸ CCR4 P51679 1/20 0.46

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
SCHEMBL8869534 0.91 PGR (0.53) PGRFFAR1FFAR4MCL1CACNA1B
SCHEMBL8869507 0.88 CACNA1B (0.48) PGRFFAR1FFAR4MCL1CACNA1B
SCHEMBL8869093 0.87 NR3C1 (0.52) PGRSCN9ALMNA
SCHEMBL8868644 0.84 HTT (0.53) CA1CA2GRM4KDM4ELMNA
SCHEMBL8869092 0.84 P4HTM (0.59) MCL1CA12CA1CA2MMP2
SCHEMBL8869314 0.84 POLB (0.55) PGRFFAR1FFAR4MCL1CACNA1B
SCHEMBL8869973 0.83 CYP1A2 (0.46) SCN9ALMNACYP3A4CYP2C9CYP2C19
SCHEMBL8868415 0.80 SMN1; SMN2 (0.38) LMNACYP3A4CYP2C9CYP2C19CCR2
SCHEMBL8868651 0.78 HIF1A (0.46) —
SCHEMBL8868341 0.77 CYP1A2 (0.45) CACNA1BCA1CA2CA9LMNA

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-5607954-A Sulfonamido- and sulfonamidocarbonylpyridine-2-carboxamides and their pyridine-n-oxides, process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 — — US disclosed
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