SCHEMBL5047138

SCHEMBL5047138

O=C1NCc2c(Cl)ccc(-c3cc4cc(C(=O)N5CCN(c6ncccn6)CC5)ccc4[nH]3)c21

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
KDR P35968 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MGLL Q99685 2/20 0.44
SLC6A7 Q99884 6/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
UBA2 Q9UBT2 1/20 0.43
SLC6A3 Q01959 1/20 0.43
AURKA O14965 1/20 0.41
CDK1 P06493 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL3044082 0.91 MEN1 (0.52) LMNAKDRKDM4EMGLLSLC6A7
SCHEMBL3051090 0.88 PARP1 (0.46) LMNAKDRMGLLMEN1KMT2A
SCHEMBL3034121 0.87 KDR (0.48) KDRMGLLAURKACDK1ALDH1A1
SCHEMBL3048935 0.87 KDR (0.58) KDRHPGDAURKACDK1ALDH1A1
SCHEMBL3047573 0.87 KDR (0.46) KDRMEN1KMT2AL3MBTL1HPGD
SCHEMBL3044089 0.85 KDR (0.45) KDRMGLLHPGDAURKACDK1
SCHEMBL3043745 0.84 KDR (0.47) KDRMGLLMEN1KMT2AAURKA
SCHEMBL3047646 0.84 KDR (0.45) KDRMGLLAURKACDK1
SCHEMBL3051432 0.84 KDR (0.46) KDRMGLLHPGDAURKACDK1
Hydrochloric Acid SCHEMBL3047329 0.83 KDR (0.52) KDRMGLLAURKACDK1

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-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP disclosed