SCHEMBL27879080

SCHEMBL27879080

Cc1ccccc1-c1nc(C(=O)O)c(-c2cccc(Cl)c2)n1-c1cccc(Cl)c1F

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.82
NOTUM Q6P988 1/20 0.44
PIN1 Q13526 1/20 0.42
RIPK1 Q13546 1/20 0.39
BRD4 O60885 1/20 0.38
CTSA P10619 2/20 0.38
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
PKM P14618 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
PPARG P37231 1/20 0.36
ORAI1 Q96D31 1/20 0.36

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
SCHEMBL28796349 0.91 MDM2 (0.83) MDM2NOTUMRIPK1CTSA
SCHEMBL1443240 0.91 MDM2 (1.00) MDM2NOTUMPIN1RIPK1GABRA2
SCHEMBL27879120 0.89 MDM2 (0.72) MDM2PIN1BRD4GABRA2GABRB2
SCHEMBL27879077 0.87 MDM2 (0.88) MDM2NOTUMPIN1RIPK1GABRA2
SCHEMBL1438150 0.87 MDM2 (0.88) MDM2NOTUMPIN1RIPK1PKM
SCHEMBL27862799 0.87 MDM2 (0.85) MDM2PIN1BRD4GABRA2GABRB2
SCHEMBL1437176 0.85 MDM2 (0.90) MDM2NOTUMPIN1RIPK1KDM4E
SCHEMBL27862830 0.84 MDM2 (0.61) MDM2NOTUMRIPK1CTSAHTT
SCHEMBL9893679 0.84 MDM2 (0.79) MDM2NOTUMPIN1RIPK1PKM
SCHEMBL9893724 0.83 MDM2 (1.00) MDM2NOTUMRIPK1

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