SCHEMBL11038710

SCHEMBL11038710

CCCCN(CCOS(=O)(=O)O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ GFER P55789 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.43
▸ CNR2 P34972 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NR1H2 P55055 1/20 0.39
▸ NR1H3 Q13133 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ NPC1 O15118 1/20 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
SCHEMBL7638491 0.89 SMN1; SMN2 (0.37) ESR1MEN1KMT2ANPSR1
SCHEMBL7636019 0.86 TSHR (0.43) ESR1MEN1KMT2AHPGDGFER
SCHEMBL11039782 0.83 ALDH1A1 (0.39) MEN1KMT2AHPGDGFERNPSR1
SCHEMBL11044031 0.81 RAD52 (0.41) MEN1KMT2ATDP1ALDH1A1LMNA
SCHEMBL11042269 0.81 ALDH1A1 (0.37) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL6850422 0.80 ESR1 (0.48) ESR1MEN1KMT2AHPGDGFER
SCHEMBL6302960 0.80 ESR1 (0.48) ESR1MEN1KMT2AHPGDGFER
SCHEMBL11045681 0.80 SMN1; SMN2 (0.52) KMT2ATDP1ALDH1A1GAAMAPT
SCHEMBL11041392 0.79 TSHR (0.46) ESR1CNR2KDM4EGAALMNA
SCHEMBL107013 0.79 CNR2 (0.49) ESR1MEN1KMT2AHPGDGFER

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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