SCHEMBL11042269

SCHEMBL11042269

O=C(O)CCN(CCOS(=O)(=O)O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.37
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GMNN O75496 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ THPO P40225 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ SLCO1B3 Q9NPD5 1/20 0.36
▸ LTA4H P09960 2/20 0.36
▸ HTT P42858 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
SCHEMBL7638491 0.91 SMN1; SMN2 (0.37) SMN1; SMN2TSHRMEN1CYP3A4CYP2C9
SCHEMBL11039782 0.84 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAMAPTHTT
SCHEMBL11045681 0.84 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2MAPTLTA4HKMT2A
SCHEMBL11044031 0.82 RAD52 (0.41) ALDH1A1SMN1; SMN2LMNACYP2D6TSHR
SCHEMBL2804456 0.82 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2GMNNLMNACYP2D6
SCHEMBL7636019 0.81 TSHR (0.43) ALDH1A1SMN1; SMN2MAPTTSHRHTT
SCHEMBL11038710 0.81 ESR1 (0.45) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL11041392 0.80 TSHR (0.46) SMN1; SMN2LMNACYP2D6TSHRPMP22
SCHEMBL10794428 0.80 ALDH1A1 (0.40) ALDH1A1TBXA2RSMN1; SMN2GMNNLMNA
SCHEMBL7641411 0.79 USP2 (0.45) ALDH1A1SMN1; SMN2LMNAHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4430259-A Water-soluble disazo compounds suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-07 — — US disclosed
US-4283196-A FIXING BY ACTION OF AN ALKALINE AGENT AMERICAN HOECHST CORPORATION (US) 1981-08-11 — — US disclosed
US-4271072-A FIBER-REACTIVE, FOR DYEING NATURAL AND SYNTHETIC POLYAMIDES AND CELULOSES AMERICAN HOECHST CORPORATION (US) 1981-06-02 — — US disclosed
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