SCHEMBL24285342

SCHEMBL24285342

CCCCCCCNC(=O)CCCOc1ccc(C(=O)NC)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.62
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MMP1 P03956 1/20 0.54
HPGD P15428 1/20 0.54
ALDH1A1 P00352 1/20 0.54
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
TP53 P04637 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL12113898 0.85 PLK1 (0.79) PLK1TP53TSHR
SCHEMBL14969349 0.85 PLK1 (0.79) PLK1TP53TSHR
SCHEMBL12112441 0.85 PLK1 (0.79) PLK1TP53TSHR
SCHEMBL19723266 0.85 MAPT (0.65) MAPTSMN1; SMN2MEN1KMT2AMMP1
SCHEMBL14969336 0.84 PLK1 (0.81) PLK1SMN1; SMN2MMP1TP53TSHR
SCHEMBL12839873 0.84 PLK1 (0.87) PLK1SMN1; SMN2MEN1KMT2AMMP1
SCHEMBL11758823 0.83 NPC1 (0.72) MAPTSMN1; SMN2MEN1KMT2AMMP1
SCHEMBL9490019 0.83 NPC1 (0.72) MAPTSMN1; SMN2MEN1KMT2AMMP1
SCHEMBL11758728 0.82 NPC1 (0.77) MAPTSMN1; SMN2MEN1KMT2AMMP1
SCHEMBL7749263 0.81 CNR2 (0.65) ALDH1A1

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-2022052014-A1 CLASS OF PLATINUM COMPOUNDS FOR TREATING CANCER, AND METHOD FOR PREPARATION THEREOF 上海海聚生物科技有限公司 2022-03-17 WO disclosed