SCHEMBL7787859

SCHEMBL7787859

Cc1ccc(C(NCc2ccc(F)c(F)c2)c2cccc(N)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PGR P06401 1/20 0.34
AR P10275 1/20 0.34
PDPK1 O15530 1/20 0.34
S1PR3 Q99500 1/20 0.34
RXRA P19793 1/20 0.33
HNF4A P41235 1/20 0.33
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KLKB1 P03952 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2D6 P10635 2/20 0.32

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
SCHEMBL7787461 0.87 TDP1 (0.55) TDP1MEN1KMT2AL3MBTL1HTT
SCHEMBL7780705 0.78 LMNA (0.34) SMN1; SMN2MEN1KMT2AHTTPGR
SCHEMBL7785553 0.78 LMNA (0.34) SMN1; SMN2MEN1KMT2AHTTPGR
SCHEMBL31067567 0.74 L3MBTL1 (0.49) TDP1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL17064881 0.74 L3MBTL1 (0.49) TDP1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL7780362 0.74 TDP1 (0.50) TDP1MEN1KMT2ARXRAHNF4A
SCHEMBL15787159 0.72 LMNA (0.42) SMN1; SMN2MEN1KMT2ALMNAKDM4E
SCHEMBL15787623 0.72 LMNA (0.42) SMN1; SMN2MEN1KMT2ALMNAKDM4E
SCHEMBL23428905 0.71 L3MBTL1 (0.49) TDP1SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL4055615 0.71 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2AKDM4EALDH1A1

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
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed