SCHEMBL20117141

SCHEMBL20117141

COC(=O)N1CCC(c2noc(-c3ccc4cnn(C5CC(O)C5)c4c3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.41
USP7 Q93009 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
USP30 Q70CQ3 4/20 0.39
HTT P42858 1/20 0.39
KIT P10721 1/20 0.39
TBK1 Q9UHD2 1/20 0.38
GPR119 Q8TDV5 3/20 0.38
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
PIK3CA P42336 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
MAPK14 Q16539 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
SCHEMBL22358080 1.00 SMO (0.41) SMOUSP7SMN1; SMN2KDM4ENPC1
SCHEMBL22358047 0.92 GPR119 (0.48) USP7USP30HTTTBK1GPR119
SCHEMBL20676513 0.91 KDM4E (0.45) SMOUSP7SMN1; SMN2KDM4ENPC1
SCHEMBL20116089 0.90 SMO (0.42) SMOUSP7SMN1; SMN2KDM4ENPC1
SCHEMBL20116177 0.90 SMO (0.41) SMOUSP7SMN1; SMN2KDM4ENPC1
SCHEMBL20674679 0.89 USP7 (0.42) SMOUSP7SMN1; SMN2KDM4ENPC1
SCHEMBL20116302 0.88 PIK3CD (0.41) SMOUSP7SMN1; SMN2KDM4ENPC1
SCHEMBL20116244 0.88 PIK3CD (0.41) SMOUSP7SMN1; SMN2KDM4ENPC1
SCHEMBL22358038 0.88 PIK3CD (0.41) SMOUSP7SMN1; SMN2KDM4ENPC1
SCHEMBL20116243 0.87 KDM4E (0.42) SMOUSP7SMN1; SMN2KDM4ENPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
WO-2018081167-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2018-05-03 WO disclosed