SCHEMBL9102033

SCHEMBL9102033

CNC(=O)Oc1cc(Oc2cccc(-c3c[nH]c(C(=O)Nc4cc(Cl)ccc4OC)c3)c2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCLAT1 Q6UWP7 1/20 0.42
DDR2 Q16832 1/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 3/20 0.40
TSHR P16473 2/20 0.40
IRAK4 Q9NWZ3 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PPARG P37231 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 4/20 0.39
ALDH1A1 P00352 1/20 0.38
ESR1 P03372 1/20 0.38
POLB P06746 1/20 0.38
ESR2 Q92731 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 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
SCHEMBL9103507 0.92 KMT2A (0.43) DDR2KMT2AMEN1NPC1MAPK1
SCHEMBL9102036 0.91 MAPT (0.41) KMT2AMEN1NPC1MAPK1HPGD
SCHEMBL9103055 0.89 LMNA (0.44) KMT2AMEN1NPC1HPGDHSD17B10
SCHEMBL9104786 0.89 RAF1 (0.49) MAPK1KDM4EL3MBTL1MAPTLMNA
SCHEMBL9103895 0.89 KDR (0.37) DDR2NPC1MAPK1HPGDKDM4E
SCHEMBL4473374 0.88 DDR2 (0.54) LCLAT1DDR2KMT2AMEN1NPC1
SCHEMBL9103475 0.85 RAF1 (0.37) MAPTKDR
SCHEMBL9100193 0.82 CDK8 (0.42) DDR2KMT2AMEN1MAPK1POLB
SCHEMBL9103231 0.82 KDR (0.42) KMT2AMEN1KDR
SCHEMBL9100020 0.81 RAF1 (0.55) DDR2MAPK1KDM4EL3MBTL1MAPT

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-1685125-B1 Pyrrole derivatives useful for the treatment of proliferative diseases MERCK PATENT GMBH (DE) 2012-06-06 EP claimed