SCHEMBL28796347

SCHEMBL28796347

Cc1ccc(-c2nc(C(=O)O)c(-c3ccc(F)c(Cl)c3)n2-c2cccc(Cl)c2F)cc1

nearest known ligand 0.88

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 10/20 0.88
NOTUM Q6P988 1/20 0.47
GRM5 P41594 1/20 0.40
KMO O15229 3/20 0.40
RPA1 P27694 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SLC6A4 P31645 1/20 0.39
RIPK1 Q13546 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
TSPO P30536 1/20 0.38

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
SCHEMBL9893643 0.94 MDM2 (0.88) MDM2NOTUMGRM5KMORPA1
SCHEMBL9893724 0.93 MDM2 (1.00) MDM2NOTUMKMORPA1HTR2A
SCHEMBL27879077 0.93 MDM2 (0.88) MDM2NOTUMHTR2AHTR2CSLC6A4
SCHEMBL1437176 0.90 MDM2 (0.90) MDM2NOTUMKMORPA1HTR2A
SCHEMBL1437096 0.89 MDM2 (0.79) MDM2NOTUMGRM5KMORPA1
SCHEMBL28796349 0.89 MDM2 (0.83) MDM2NOTUMKMOHTR2AHTR2C
SCHEMBL1437130 0.89 MDM2 (0.86) MDM2NOTUMKMORPA1HTR2A
SCHEMBL9893854 0.87 MDM2 (0.77) MDM2NOTUMGRM5KMORPA1
SCHEMBL9893845 0.87 MDM2 (0.79) MDM2NOTUMKMORPA1
SCHEMBL27862924 0.87 MDM2 (0.66) MDM2KMORPA1LMNAGAA

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
CN-102574785-A Tetra-substituted heteroaryl compounds and their use as MDM2 and/or MDM4 modulators NOVARTIS AG 2012-07-11 CN disclosed