SCHEMBL7780705

SCHEMBL7780705

Cc1ccc(C(N[C@H](C)c2ccc(F)c(F)c2)c2cccc(N)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
MAPKAPK2 P49137 1/20 0.34
KRAS P01116 1/20 0.34
SOS1 Q07889 1/20 0.34
MAPK1 P28482 1/20 0.33
PGR P06401 1/20 0.33
AR P10275 1/20 0.33
PDPK1 O15530 1/20 0.33
NFE2L2 Q16236 1/20 0.32
AURKA O14965 1/20 0.31
RPS6KB1 P23443 1/20 0.31
MAPT P10636 2/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP3A4 P08684 3/20 0.30
CYP2D6 P10635 3/20 0.30
SLC6A2 P23975 3/20 0.30
SLC6A4 P31645 3/20 0.30
SLC6A3 Q01959 3/20 0.30
KCNH2 Q12809 2/20 0.30

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
SCHEMBL7785553 1.00 LMNA (0.34) LMNAMAPKAPK2KRASSOS1MAPK1
SCHEMBL27553525 0.92 PDPK1 (0.39) LMNAMAPKAPK2KRASSOS1MAPK1
SCHEMBL7784936 0.92 PDPK1 (0.39) LMNAMAPKAPK2KRASSOS1MAPK1
SCHEMBL7785234 0.91 MAPKAPK2 (0.34) MAPKAPK2KRASSOS1MAPK1PDPK1
SCHEMBL7780509 0.91 MAPKAPK2 (0.34) MAPKAPK2KRASSOS1MAPK1PDPK1
SCHEMBL7785101 0.90 ADRB2 (0.36) MAPKAPK2KRASSOS1MAPK1PDPK1
SCHEMBL7785487 0.88 CASR (0.36) LMNAMAPKAPK2KRASSOS1MAPK1
SCHEMBL7787609 0.88 MAPKAPK2 (0.45) MAPKAPK2KRASSOS1MAPK1PDPK1
SCHEMBL7785127 0.86 ALDH1A1 (0.41) LMNAKRASSOS1PDPK1MAPT
SCHEMBL7780640 0.86 ALDH1A1 (0.41) LMNAKRASSOS1PDPK1MAPT

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