SCHEMBL7643415

SCHEMBL7643415

COc1cc(NC(C)=O)cc(N(CCC#N)CCOS(=O)(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ TP53 P04637 1/20 0.37
▸ MTNR1A P48039 4/20 0.35
▸ MTNR1B P49286 4/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ DDR2 Q16832 1/20 0.33

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
SCHEMBL11744514 0.85 MTNR1A (0.39) SMN1; SMN2LMNATP53MTNR1AMTNR1B
SCHEMBL7639159 0.83 TP53 (0.41) SMN1; SMN2LMNATP53ALDH1A1NPSR1
SCHEMBL11745898 0.75 KMT2A (0.45) SMN1; SMN2LMNATP53MTNR1AMTNR1B
SCHEMBL9874122 0.73 POLB (0.43) LMNAALDH1A1HSD17B10KMT2APOLB
SCHEMBL11884522 0.72 ALDH1A1 (0.43) SMN1; SMN2LMNATP53ALDH1A1NPSR1
SCHEMBL7639446 0.71 MAPT (0.33) MTNR1AMTNR1BALDH1A1KMT2AMEN1
SCHEMBL7643237 0.71 MAPT (0.37) SMN1; SMN2LMNAALDH1A1KMT2APOLB
SCHEMBL11333504 0.70 HSD17B10 (0.42) SMN1; SMN2LMNAMTNR1AMTNR1BALDH1A1
SCHEMBL7641411 0.70 USP2 (0.45) SMN1; SMN2LMNATP53ALDH1A1HSD17B10
SCHEMBL7639671 0.69 ALDH1A1 (0.40) SMN1; SMN2LMNAALDH1A1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6464734-B1 USED FOR DYEING OR PRINTING HYDROXYL AND/OR CARBOXAMIDO CONTAINING MATERIALS SUCH AS POLYVINYL ALCOHOL, POLYURETHANES AND POLYAMIDES; WASHFASTNESS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2002-10-15 — — US disclosed
EP-1134260-A1 Deep black dye mixtures of fiber-reactive azo dyes DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2001-09-19 — — EP disclosed
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