SCHEMBL5329027

SCHEMBL5329027

Cc1nc2c(O)c(CC[C@@H](O)c3ccccc3)c(C(=O)N3CCC3)cn2c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 4/20 0.37
KDM4E B2RXH2 4/20 0.37
TSHR P16473 3/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 3/20 0.36
CXCR2 P25025 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PDE10A Q9Y233 4/20 0.33
NPSR1 Q6W5P4 3/20 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
SCHEMBL5329018 1.00 KMT2A (0.37) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL5332664 1.00 KMT2A (0.37) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL5566458 0.98 KMT2A (0.39) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL5566461 0.98 KMT2A (0.39) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL4977670 0.87 P2RX3 (0.36) ALDH1A1HPGDKDM4ETSHRNPC1
SCHEMBL4977432 0.83 PRKDC (0.34) ALDH1A1NPC1LMNARAB9ACXCR2
SCHEMBL5451120 0.83 PRKDC (0.34) ALDH1A1NPC1LMNARAB9ACXCR2
SCHEMBL5566372 0.83 PRKDC (0.34) ALDH1A1NPC1LMNARAB9ACXCR2
SCHEMBL5569978 0.83 LMNA (0.38) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL5569980 0.83 LMNA (0.38) KMT2AMEN1ALDH1A1HPGDKDM4E

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
WO-2007141253-A1 PROCESS FOR THE PRODUCTION OF INTERMEDIATES FOR THE PREPARATION OF TRICYCLIC IMIDAZOPYRIDINES NYCOMED GMBH (DE) 2007-12-13 WO claimed
WO-2007141253-A1 PROCESS FOR THE PRODUCTION OF INTERMEDIATES FOR THE PREPARATION OF TRICYCLIC IMIDAZOPYRIDINES NYCOMED GMBH (DE) 2007-12-13 WO disclosed