SCHEMBL21048938

SCHEMBL21048938

CS(=O)(=O)N(CCOC1CCCCO1)c1ccccc1CNC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL17258830 0.84 KDM4C (0.38) RECQLKMT2AMEN1L3MBTL1LMNA
SCHEMBL17258675 0.78 KDM4C (0.38) KMT2AMEN1L3MBTL1LMNAGAA
SCHEMBL28840926 0.73 TP53 (0.48) KMT2AMEN1TP53L3MBTL1
SCHEMBL21048978 0.72 TP53 (0.52) KMT2AMEN1TP53GAAALDH1A1
SCHEMBL31548465 0.67 MEN1 (0.41) KMT2AMEN1KDM4C
SCHEMBL17258976 0.67 TP53 (0.42) KMT2AMEN1TP53
SCHEMBL17258893 0.67 ALDH1A1 (0.53) KMT2AMEN1TP53L3MBTL1GAA
SCHEMBL20857107 0.67 KMT2A (0.45) RECQLKMT2AMEN1LMNANPSR1
SCHEMBL31548434 0.67 CA1 (0.42) KMT2AMEN1LMNAGAAALDH1A1
SCHEMBL19022259 0.66 NPC1 (0.34) KMT2AMEN1KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3143021-B1 PYRAZOLOPYRIDINES AND PYRAZOLOPYRIMIDINES PFIZER (US) 2019-06-12 EP disclosed