SCHEMBL1667674

SCHEMBL1667674

COc1ccc(-n2c(N3CCCC3)c(C#N)c3cccnc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
USP14 P54578 1/20 0.44
RAB9A P51151 3/20 0.43
KMT2A Q03164 2/20 0.43
DRD2 P14416 2/20 0.43
HTR2A P28223 1/20 0.43
CCNA2 P20248 1/20 0.41
CDK2 P24941 1/20 0.41
HTT P42858 4/20 0.40
PKM P14618 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
HPGD P15428 2/20 0.39
MITF O75030 1/20 0.39
TP53 P04637 1/20 0.39
KLF5 Q13887 1/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39

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
SCHEMBL1667847 0.85 USP14 (0.46) USP14KMT2ALMNAKCNMA1MEN1
SCHEMBL1668123 0.81 MAPT (0.44) MAPTALDH1A1RAB9AKMT2ADRD2
SCHEMBL1667703 0.71 USP14 (0.41) MAPTALDH1A1USP14TP53
SCHEMBL1667713 0.70 USP14 (0.39) USP14PDE4B
SCHEMBL1667710 0.70 USP14 (0.39) USP14PDE4B
SCHEMBL1667607 0.69 ALDH1A1 (0.52) MAPTALDH1A1DRD2HTR2ASMN1; SMN2
SCHEMBL1668155 0.67 USP14 (0.33) MAPTALDH1A1USP14KMT2APKM
SCHEMBL7278394 0.66 LMNA (0.51) MAPTALDH1A1RAB9AKMT2APKM
SCHEMBL1040354 0.66 MEN1 (0.46) MAPTALDH1A1USP14KMT2AHTR2A
SCHEMBL1038038 0.65 MEN1 (0.45) MAPTALDH1A1USP14KMT2AHTR2A

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
WO-2011042474-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed
WO-2011042474-A1 NOVEL ESTROGEN RECEPTOR LIGANDS KARO BIO AB (SE) 2011-04-14 WO disclosed