SCHEMBL4249543

SCHEMBL4249543

CCS(=O)(=O)NCc1ccccn1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.63
ALDH1A1 P00352 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
PRMT1 Q99873 1/20 0.56
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
ATM Q13315 1/20 0.52

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
SCHEMBL29681615 0.84 L3MBTL1 (0.65) L3MBTL1ALDH1A1MEN1KMT2APRMT1
SCHEMBL1706646 0.84 L3MBTL1 (0.65) L3MBTL1ALDH1A1MEN1KMT2APRMT1
SCHEMBL21686843 0.82 LMNA (0.57) L3MBTL1ALDH1A1MEN1KMT2APRMT1
Hydrochloric Acid SCHEMBL21633576 0.80 L3MBTL1 (0.56) L3MBTL1ALDH1A1MEN1KMT2APRMT1
Hydrochloric Acid SCHEMBL30763411 0.80 L3MBTL1 (0.56) L3MBTL1ALDH1A1MEN1KMT2APRMT1
SCHEMBL1706579 0.80 L3MBTL1 (0.65) L3MBTL1ALDH1A1MEN1KMT2APRMT1
SCHEMBL5630873 0.80 L3MBTL1 (0.65) L3MBTL1ALDH1A1MEN1KMT2APRMT1
SCHEMBL13066644 0.80 L3MBTL1 (0.65) L3MBTL1ALDH1A1MEN1KMT2APRMT1
SCHEMBL23083127 0.79 L3MBTL1 (0.59) L3MBTL1ALDH1A1MEN1KMT2APRMT1
SCHEMBL25541313 0.79 L3MBTL1 (0.50) L3MBTL1ALDH1A1MEN1KMT2APRMT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049494-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2009-04-22 EP claimed
WO-2008008310-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2008-01-17 WO claimed
EP-1255735-A2 PYRIDINE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2002-11-13 EP claimed
WO-2001056990-A2 PYRIDINE DERIVATES AS POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2001-08-09 WO claimed
EP-2049494-A2 TYROSINE KINASE INHIBITORS Merck & Co., Inc. (US) 2009-04-22 EP disclosed
WO-2008008310-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2008-01-17 WO disclosed