SCHEMBL11061813

SCHEMBL11061813

CS(=O)(=O)c1ccc(C(=O)c2ccco2)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ CES2 O00748 1/20 0.42
▸ CES1 P23141 1/20 0.42
▸ PTPN1 P18031 1/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ RAB9A P51151 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL12967454 0.75 KDM4E (0.43) ALDH1A1LMNAALOX15HSD17B10SMN1; SMN2
SCHEMBL9792287 0.74 POLB (0.50) POLBKMT2AMEN1TDP1ALDH1A1
SCHEMBL11058911 0.74 POLB (0.46) POLBKMT2AMEN1TDP1ALDH1A1
SCHEMBL11064408 0.72 CCND3 (0.40) POLBRAB9ASMN1; SMN2CA12CA1
SCHEMBL8269692 0.71 ALDH1A1 (0.46) POLBKMT2AMEN1TDP1ALDH1A1
SCHEMBL7814046 0.70 MEN1 (0.58) POLBKMT2AMEN1TDP1ALDH1A1
SCHEMBL181841 0.70 ALDH1A1 (0.74) POLBKMT2AMEN1TDP1ALDH1A1
SCHEMBL11061350 0.70 CES2 (0.42) POLBKMT2AMEN1TDP1ALDH1A1
SCHEMBL10878630 0.69 PDE4A (0.48) POLBKMT2AMEN1TDP1ALDH1A1
SCHEMBL9787344 0.68 ALDH1A1 (0.46) POLBKMT2AMEN1TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4458081-A ANTIINFLAMMATORY, ANALGESIC, ANTICOAGULANT, MUSCLE RELAXANT SYNTEX (U.S.A.) INC. (US) 1984-07-03 — — US disclosed
US-4454326-A 5-Aroyl 6-chloro or 6-bromo 1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1,1-di-carboxylates SYNTEX (U.S.A.) INC. (US) 1984-06-12 — — US disclosed
US-4347187-A Process for preparing 5-aroyl 1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acids and novel intermediates therein SYNTEX (U.S.A.) INC. (US) 1982-08-31 — — US disclosed
US-4347186-A Process for preparing 5-aroyl 1,2-dihydro-3-H pyrrolo[1,2-a]pyrrole-1-carboxylic acids and novel intermediates therein SYNTEX (U.S.A.) INC. (US) 1982-08-31 — — US disclosed
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