SCHEMBL5324400

SCHEMBL5324400

CCOC(=O)c1cn2c(C)c(C)nc2c(O)c1CCC(=O)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 3/20 0.40
MAPK1 P28482 2/20 0.40
HCRTR1 O43613 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
RAB9A P51151 1/20 0.40
TSHR P16473 1/20 0.39
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C19 P33261 2/20 0.36
ELANE P08246 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL5330704 0.89 SMN1; SMN2 (0.43) SMN1; SMN2MAPTMAPK1HCRTR1TP53
SCHEMBL5328510 0.85 CYP3A4 (0.36) CYP3A4CYP2C9KMT2ACYP1A2CYP2D6
SCHEMBL5558310 0.79 MAPT (0.39) SMN1; SMN2MAPTMAPK1HCRTR1TP53
SCHEMBL5327618 0.77 GLA (0.38) MAPTRAB9ACYP3A4CYP2C9MEN1
SCHEMBL4574357 0.76 KDM4E (0.44) SMN1; SMN2MAPTMAPK1HCRTR1TP53
SCHEMBL5563484 0.76 KMT2A (0.39) SMN1; SMN2MAPTMAPK1HCRTR1TP53
Bicarbonate SCHEMBL5984921 0.76 GLA (0.37) RAB9ACYP3A4CYP2C9MEN1KMT2A
Iodide SCHEMBL5323160 0.76 KMT2A (0.38) SMN1; SMN2MAPTMAPK1HCRTR1TP53
SCHEMBL5329533 0.73 CYP3A4 (0.36) SMN1; SMN2MAPTTP53RAB9ATSHR
SCHEMBL4735946 0.73 ELANE (0.40) MAPTMAPK1TP53RAB9ATSHR

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