SCHEMBL10358334

SCHEMBL10358334

Nc1ccc2nc(SC3CC(=O)NC3=O)sc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.50
MAPT P10636 10/20 0.43
MEN1 O00255 7/20 0.43
KMT2A Q03164 7/20 0.43
ALDH1A1 P00352 7/20 0.43
LMNA P02545 4/20 0.43
HPGD P15428 2/20 0.41
SHMT2 P34897 1/20 0.41
RAB9A P51151 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
NPC1 O15118 3/20 0.40
CRBN Q96SW2 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KDM4E B2RXH2 4/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL10358606 0.82 HSD17B10 (0.57) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL10358379 0.80 GAA (0.40) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL10761372 0.78 KEAP1 (0.50) KEAP1MAPTMEN1KMT2AALDH1A1
SCHEMBL10358298 0.78 DDB1 (0.41) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL865987 0.70 KEAP1 (0.74) KEAP1MAPTMEN1KMT2AALDH1A1
SCHEMBL10358336 0.69 SMN1; SMN2 (0.41) KEAP1MAPTMEN1KMT2AALDH1A1
SCHEMBL10521779 0.69 KEAP1 (0.72) KEAP1MAPTMEN1KMT2AALDH1A1
SCHEMBL10358342 0.69 DDB1 (0.34) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL304698 0.68 KEAP1 (1.00) KEAP1MAPTMEN1KMT2AALDH1A1
SCHEMBL10358332 0.68 KEAP1 (0.56) KEAP1MAPTMEN1KMT2AALDH1A1

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
EP-0161222-B1 HETEROCYCLIC MERCAPTOCARBOXYLIC-ACID AMIDES, IMIDES AND NITRILES AS CORROSION INHIBITING AGENTS CIBA-GEIGY AG (CH) 1990-10-10 EP disclosed
US-4719036-A PAINTS; METAL WORKING CIBA-GEIGY CORPORATION (US) 1988-01-12 US disclosed
EP-0161222-A2 Heterocyclic mercaptocarboxylic-acid amides, imides and nitriles as corrosion inhibiting agents CIBA-GEIGY AG (CH) 1985-11-13 EP disclosed