SCHEMBL21097101

SCHEMBL21097101

COC(=O)c1cnc(NC(=O)I)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.41
NOTUM Q6P988 1/20 0.40
MAPT P10636 3/20 0.39
POLB P06746 2/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
PSMD14 O00487 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PPARG P37231 1/20 0.39
MAPK10 P53779 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
GABRA5 P31644 1/20 0.38

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
SCHEMBL3716987 0.83 MAPK1 (0.49) MAPK1KDM4EL3MBTL1ATMNOTUM
SCHEMBL21061893 0.82 ALDH1A1 (0.46) MAPK1KDM4EL3MBTL1ATMNOTUM
SCHEMBL21061790 0.82 KDM4E (0.46) MAPK1KDM4EL3MBTL1ATMNOTUM
SCHEMBL12143900 0.81 MAPK1 (0.47) MAPK1KDM4EL3MBTL1ATMNOTUM
SCHEMBL21061759 0.80 HSD17B10 (0.54) MAPK1KDM4EL3MBTL1MAPTALDH1A1
SCHEMBL21061785 0.80 MAPK1 (0.41) MAPK1KDM4EL3MBTL1ATMNOTUM
SCHEMBL21096510 0.80 NOTUM (0.46) MAPK1KDM4EL3MBTL1ATMNOTUM
SCHEMBL21061842 0.80 MAPK1 (0.41) MAPK1KDM4EL3MBTL1ATMNOTUM
SCHEMBL18358176 0.79 MAPK1 (0.45) MAPK1KDM4EL3MBTL1ATMNOTUM
SCHEMBL23350346 0.78 NOTUM (0.44) MAPK1KDM4EL3MBTL1ATMNOTUM

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-2019116256-A1 FUSED PYRIDINES WHICH ACT AS INHIBITORS OF H-PGDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-06-20 WO disclosed