SCHEMBL21653345

SCHEMBL21653345

CCn1c(C(C)C)cc(Cl)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA3 P42263 1/20 0.35
GRIA4 P48058 1/20 0.35
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PTGER4 P35408 1/20 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
SCHEMBL16860600 0.73 MEN1 (0.37) GRIA1GRIA2GRIA3GRIA4LMNA
SCHEMBL21653342 0.71 LMNA (0.38) LMNA
SCHEMBL18595554 0.67 ALDH1A1 (0.32) TSHR
SCHEMBL21907095 0.67 ACSS2 (0.41) CYP1A2CYP3A4PTGER4
SCHEMBL25861375 0.61 ALDH1A1 (0.33) MEN1KMT2ASMN1; SMN2
SCHEMBL22648854 0.61 KDM1A (0.51) LMNAMEN1TSHRKMT2ASMN1; SMN2
SCHEMBL22479058 0.61 GRIK1 (0.37) LMNATSHR
SCHEMBL27300532 0.58
SCHEMBL16860573 0.58 KAT2B (0.32) LMNAMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL20149586 0.57 ALDH1A1 (0.37) LMNAMEN1CYP1A2CYP3A4TSHR

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
WO-2020023657-A1 PYRIDIN-2-ONE COMPOUNDS USEFUL AS SMARCA2 ANTAGONISTS Epizyme, Inc. (US) 2020-01-30 WO disclosed