SCHEMBL27835898

SCHEMBL27835898

CCC(=O)c1cccc(CN)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGB1 P09429 1/20 0.49
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
HSP90AB1 P08238 1/20 0.41
IAPP P10997 3/20 0.40
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
KLKB1 P03952 2/20 0.36
PDK2 Q15119 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MMP2 P08253 1/20 0.35
HMGCR P04035 1/20 0.35
CLCN2 P51788 1/20 0.35
POLB P06746 1/20 0.35
SHBG P04278 1/20 0.35
PNMT P11086 1/20 0.34

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
SCHEMBL27420704 0.83 L3MBTL1 (0.41) HMGB1HSP90AB1MAPTKMT2APDK2
SCHEMBL16585595 0.83 HMGB1 (0.53) HMGB1GABRA1GABRB2MEN1MAPT
SCHEMBL27753882 0.82 GABRA1 (0.41) HMGB1GABRA1GABRB2HSP90AB1MAPT
SCHEMBL27733489 0.82 ABCB11 (0.38) HMGB1GABRA1GABRB2HSP90AB1PDK2
SCHEMBL27753896 0.82 PNMT (0.47) HMGB1GABRA1GABRB2HSP90AB1MAPT
SCHEMBL14588767 0.82 HMGB1 (0.49) HMGB1GABRA1GABRB2HSP90AB1IAPP
SCHEMBL14645911 0.81 HMGB1 (0.55) HMGB1GABRA1GABRB2IAPPKMT2A
SCHEMBL27709094 0.81 HMGB1 (0.37) HMGB1GABRA1GABRB2HSP90AB1IAPP
SCHEMBL27499175 0.81 GABRA1 (0.44) HMGB1GABRA1GABRB2HSP90AB1IAPP
SCHEMBL11651879 0.79 KDM4E (0.47) GABRA1GABRB2HSP90AB1MEN1MAPT

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
CN-102149687-B Novel imidazolidine compounds as androgen receptor modulators GALAPAGOS NV 2014-08-13 CN disclosed
CN-102149687-A Novel imidazolidine compounds as androgen receptor modulators GALAPAGOS NV 2011-08-10 CN disclosed