SCHEMBL9873109

SCHEMBL9873109

Cc1cccc(N(CCOS(=O)(=O)O)CCOS(=O)(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.41
▸ LMNA P02545 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ PAX8 Q06710 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ GPX4 P36969 1/20 0.37
▸ GLA P06280 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 2/20 0.36

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
SCHEMBL9872251 0.93 CYP3A4 (0.45) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL19941543 0.92 LMNA (0.38) RECQLLMNAPOLBCYP1A2CYP3A4
SCHEMBL7639671 0.90 ALDH1A1 (0.40) RECQLLMNAPOLBCYP1A2CYP3A4
SCHEMBL7045574 0.85 CYP1A2 (0.48) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7641592 0.83 MAPT (0.56) LMNAALDH1A1RAB9AKMT2AMAPT
SCHEMBL7636290 0.82 ALDH1A1 (0.41) RECQLLMNACYP3A4ALDH1A1HSD17B10
SCHEMBL7638491 0.80 SMN1; SMN2 (0.37) CYP3A4CYP2C19KMT2ANPSR1MEN1
SCHEMBL11691552 0.80 GFER (0.45) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7642394 0.80 RECQL (0.43) RECQLLMNAPOLBCYP1A2CYP3A4
SCHEMBL7638488 0.78 MAPT (0.46) LMNACYP3A4ALDH1A1RAB9ANPC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5037449-A For dyeing or printing cotton or wool CIBA-GEIGY CORPORATION (US) 1991-08-06 — — US disclosed
US-4968781-A COTTON CIBA-GEIGY CORPORATION (US) 1990-11-06 — — US disclosed
US-4952679-A PRINTING, DYEING CELLULOSE CIBA-GEIGY CORPORATION (US) 1990-08-28 — — US disclosed
US-4929719-A Fiber-reactive dyes containing an aniline radical which carries two different vinylsulfonyl moieties CIBA-GEIGY CORPORATION (US) 1990-05-29 — — US disclosed
US-4918169-A COTTON CIBA-GEIGY CORPORATION (US) 1990-04-17 — — US disclosed
EP-0017558-B1 HETEROCYCLIC AZO COMPOUNDS HAVING SULFATE GROUPS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1983-10-05 — — EP disclosed
US-4267104-A Dyes from selected substituted aniline diazo components and aniline couplers containing sulfate ester groups EASTMAN KODAK COMPANY (US) 1981-05-12 — — US disclosed
US-4255326-A MONOAZO DYES; THIOPHENE DYES; POLYAMIDES, CELLULOSE ACETATE AND WOOL EASTMAN KODAK COMPANY (US) 1981-03-10 — — US disclosed
EP-0017558-A1 Heterocyclic azo compounds having sulfate groups EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1980-10-15 — — EP disclosed
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