SCHEMBL9983753

SCHEMBL9983753

CCCCc1ccnc(C#CC(C)(C)C)c1C#N

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
CASP3 P42574 1/20 0.32
RAB9A P51151 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.31

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
SCHEMBL27752851 0.80 HSD17B10 (0.37) HPGDNPSR1KDM4EALDH1A1L3MBTL1
SCHEMBL7213741 0.75 HPGD (0.40) HPGDSMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL27754207 0.75 HPGD (0.36) HPGDSMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL28205931 0.74 TYR (0.38) HPGDSMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL27754223 0.74 ALDH1A1 (0.41) HPGDSMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL27754218 0.71 ALDH1A1 (0.40) HPGDSMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL4954240 0.70 BCL6 (0.40) HPGDSMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL6277959 0.70 HPGD (0.43) HPGDSMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL30319942 0.69 BCL6 (0.39) HPGDNPSR1KDM4EALDH1A1L3MBTL1
SCHEMBL9983754 0.69 CNR1 (0.37) HPGDSMN1; SMN2NPSR1KDM4EALDH1A1

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-2011157339-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2011-12-22 WO disclosed