SCHEMBL7784998

SCHEMBL7784998

COc1ccccc1C(N[C@@H](C)c1cccc(F)c1)c1cccc(Nc2c(OC)c(=O)c2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 5/20 0.41
STK10 O94804 1/20 0.39
SLK Q9H2G2 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
BRAF P15056 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
MAPK14 Q16539 1/20 0.34
MTOR P42345 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CSF1R P07333 1/20 0.34
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 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
SCHEMBL7787608 0.90 MAPKAPK2 (0.40) MAPKAPK2STK10SLKMEN1POLB
SCHEMBL7780332 0.86 MEN1 (0.48) MAPKAPK2MEN1POLBKMT2ABRAF
SCHEMBL7780556 0.85 ALDH1A1 (0.44) MAPKAPK2MEN1POLBKMT2ASMN1; SMN2
SCHEMBL7780336 0.84 MAPKAPK2 (0.41) MAPKAPK2MEN1POLBKMT2ASMN1; SMN2
SCHEMBL7780311 0.82 MEN1 (0.39) MAPKAPK2MEN1POLBKMT2AMAPK14
SCHEMBL7787611 0.81 MAPKAPK2 (0.46) MAPKAPK2MEN1POLBKMT2ASMN1; SMN2
SCHEMBL7787471 0.80 BCL9 (0.36) MAPKAPK2MEN1POLBKMT2ASMN1; SMN2
SCHEMBL7780375 0.80 KMT2A (0.42) MAPKAPK2MEN1POLBKMT2AMAPK14
SCHEMBL7780593 0.80 MAPKAPK2 (0.46) MAPKAPK2MAPK14MTORKDM4ELMNA
SCHEMBL7785265 0.79 MAPKAPK2 (0.41) MAPKAPK2MEN1POLBKMT2AMAPK14

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed