SCHEMBL12334136

SCHEMBL12334136

CN1COCCc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 4/20 0.41
USP2 O75604 1/20 0.41
CDK4 P11802 1/20 0.41
ALOX15 P16050 1/20 0.41
CCND1 P24385 1/20 0.41
HTR2A P28223 3/20 0.38
SLC6A2 P23975 3/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
SLC6A4 P31645 3/20 0.38
HRH1 P35367 3/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 3/20 0.38
SLC22A2 O15244 2/20 0.38
SLC22A1 O15245 2/20 0.38
SLC22A3 O75751 2/20 0.38
CHRM2 P08172 2/20 0.38
CYP2D6 P10635 2/20 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
SCHEMBL4559179 0.80 ALDH1A1 (0.35) MEN1KMT2AALDH1A1USP2CDK4
SCHEMBL142091 0.73 ALDH1A1 (0.59) MEN1KMT2AALDH1A1USP2CDK4
SCHEMBL10140330 0.72 MEN1 (0.44) MEN1KMT2AALDH1A1USP2CDK4
Hydrochloric Acid SCHEMBL22582303 0.71 ALDH1A1 (0.57) MEN1KMT2AALDH1A1USP2CDK4
Bromide SCHEMBL29602074 0.71 ALDH1A1 (0.57) MEN1KMT2AALDH1A1USP2CDK4
SCHEMBL15143883 0.71 ACHE (0.42) MEN1KMT2AALDH1A1USP2CDK4
SCHEMBL159025 0.69 ALDH1A1 (0.58) MEN1KMT2AALDH1A1USP2CDK4
SCHEMBL12013898 0.69 HSD17B3 (0.56) MEN1KMT2AALDH1A1USP2CDK4
SCHEMBL29699544 0.69 ALDH1A1 (0.58) MEN1KMT2AALDH1A1USP2CDK4
SCHEMBL2062312 0.69 TSHR (0.53) LMNADRD2DRD3HTR2CDRD1

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-2011111875-A1 N-ACYL CYCLIC AMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-09-15 WO disclosed