SCHEMBL10581025

SCHEMBL10581025

Cc1ccc(S(=O)(=O)c2cc(NC(=O)OCCO)ccc2N)cc1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CTDSP1 Q9GZU7 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ GLA P06280 1/20 0.37
▸ LMNA P02545 4/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ EPHX2 P34913 1/20 0.35

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
SCHEMBL10582404 0.92 SMN1; SMN2 (0.44) SMN1; SMN2CYP2C9CYP2C19HPGDNPC1
SCHEMBL10583968 0.91 SMN1; SMN2 (0.39) SMN1; SMN2CYP2C9CYP2C19HPGDNPC1
SCHEMBL10579484 0.91 CTDSP1 (0.46) SMN1; SMN2CYP2C9CYP2C19HPGDNPC1
SCHEMBL10582790 0.87 CTDSP1 (0.40) SMN1; SMN2NPC1RAB9ACTDSP1ALDH1A1
SCHEMBL10581310 0.85 NAMPT (0.45) SMN1; SMN2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL10579292 0.83 KDM4E (0.48) SMN1; SMN2CYP2C9CYP2C19HPGDNPC1
SCHEMBL10582238 0.82 ENPP2 (0.50) CYP2C19NPC1ALDH1A1KMT2AMAPT
SCHEMBL10579830 0.82 ATM (0.49) SMN1; SMN2CYP2C9CYP2C19NPC1CYP1A2
SCHEMBL10581128 0.82 RAD51 (0.48) CYP1A2CTDSP1ALDH1A1KMT2ALMNA
SCHEMBL10580263 0.81 MAPT (0.50) SMN1; SMN2CTDSP1ALDH1A1KMT2ALMNA

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-4843151-A RED/YELLOW DYES FOR NATURAL AND SYNTHETIC POLYAMIDES USING AN AQUEOUS BATH; COLORFASTNESS CIBA-GEIGY CORPORATION (US) 1989-06-27 — — US disclosed
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