SCHEMBL7787608

SCHEMBL7787608

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.40
STK10 O94804 1/20 0.38
SLK Q9H2G2 1/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CSF1R P07333 1/20 0.35
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAD52 P43351 1/20 0.34
MAPK14 Q16539 1/20 0.34
MTOR P42345 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 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
SCHEMBL7784998 0.90 MAPKAPK2 (0.41) MAPKAPK2STK10SLKPOLBMEN1
SCHEMBL7780411 0.87 MEN1 (0.47) MAPKAPK2POLBMEN1KMT2ASMN1; SMN2
SCHEMBL7780560 0.86 ALDH1A1 (0.44) MAPKAPK2POLBMEN1KMT2ATP53
SCHEMBL7787655 0.86 ALDH1A1 (0.44) MAPKAPK2POLBMEN1KMT2ATP53
SCHEMBL7787545 0.81 MAPKAPK2 (0.42) MAPKAPK2MAPK14MTOR
SCHEMBL7785589 0.81 MAPKAPK2 (0.45) MAPKAPK2MAPK14MTOR
SCHEMBL7780407 0.81 KRAS (0.41) SMN1; SMN2SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL7787623 0.80 CA1 (0.37) MAPKAPK2POLBMEN1KMT2ACSF1R
SCHEMBL7780621 0.80 MAPKAPK2 (0.38) MAPKAPK2POLBMEN1KMT2AMAPK14
SCHEMBL7780389 0.80 KMT2A (0.41) MAPKAPK2POLBMEN1KMT2ATP53

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