SCHEMBL10582404

SCHEMBL10582404

CCCOC(=O)Nc1ccc(N)c(S(=O)(=O)c2ccc(C)c(S(=O)(=O)O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 6/20 0.44
▸ HPGD P15428 3/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KMT2A Q03164 3/20 0.41
▸ GLA P06280 1/20 0.41
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ MMP2 P08253 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ LMNA P02545 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ MMP12 P39900 2/20 0.38

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
SCHEMBL10579484 0.93 CTDSP1 (0.46) SMN1; SMN2HPGDCYP2C9CYP2C19NPC1
SCHEMBL10581025 0.92 SMN1; SMN2 (0.39) SMN1; SMN2HPGDCYP2C9CYP2C19NPC1
SCHEMBL10583968 0.91 SMN1; SMN2 (0.39) SMN1; SMN2HPGDCYP2C9CYP2C19NPC1
SCHEMBL10582790 0.87 CTDSP1 (0.40) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL10581310 0.85 NAMPT (0.45) SMN1; SMN2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL10582390 0.84 ALDH1A1 (0.49) CYP2C9CYP2C19CYP1A2ALDH1A1KMT2A
SCHEMBL10579830 0.84 ATM (0.49) SMN1; SMN2CYP2C9CYP2C19NPC1RAB9A
SCHEMBL10579292 0.83 KDM4E (0.48) SMN1; SMN2HPGDCYP2C9CYP2C19NPC1
SCHEMBL10582238 0.82 ENPP2 (0.50) CYP2C19NPC1ALDH1A1KMT2AMMP2
SCHEMBL10582351 0.82 ALDH1A1 (0.51) SMN1; SMN2HPGDCYP2C9CYP2C19RAB9A

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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