SCHEMBL4771985

SCHEMBL4771985

COCCOc1ccc2c(C#N)c(-c3cc[c]cc3)n(C3CC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.38
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PABPC1 P11940 1/20 0.36
CASP3 P42574 1/20 0.36
HTT P42858 1/20 0.36
NCOA1 Q15788 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
ESR1 P03372 2/20 0.34
OPRM1 P35372 1/20 0.32
PDGFRB P09619 1/20 0.32
LRRK2 Q5S007 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL2884180 0.90 CYP11B2 (0.37) CYP11B2MEN1KMT2AKDM4EMAPK1
SCHEMBL2881706 0.86 HRH3 (0.36) CYP11B2MEN1KMT2AKDM4EMAPK1
SCHEMBL12995592 0.86 CYP11B2 (0.36) CYP11B2MEN1KMT2AKDM4EMAPK1
SCHEMBL13198856 0.83 HRH3 (0.34) CYP11B2MEN1KMT2AKDM4EMAPK1
SCHEMBL2884321 0.82 CHEK2 (0.43) MEN1KMT2AKDM4EALDH1A1HRH3
SCHEMBL13198734 0.81 PDGFRB (0.41) MEN1KMT2AMAPK1L3MBTL1TDP1
SCHEMBL13198744 0.81 ALDH1A1 (0.40) MEN1KMT2AMAPK1L3MBTL1LMNA
SCHEMBL13198730 0.81 PDGFRB (0.41) MEN1KMT2AMAPK1L3MBTL1ESR1
SCHEMBL12995744 0.81 HRH3 (0.44) MEN1KMT2AMAPTALDH1A1HRH3
SCHEMBL10096681 0.81 PDGFRB (0.39) CYP11B2MEN1KMT2AMAPK1L3MBTL1

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
EP-1984332-A2 METHODS FOR TREATING HEPATITIS C PTC Therapeutics, Inc. (US) 2008-10-29 EP disclosed
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO disclosed