SCHEMBL28114846

SCHEMBL28114846

O=C1NC(=O)c2c(SC3CCCCC3)cccc21.[SiH4]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
BCL2 P10415 7/20 0.41
ALDH1A1 P00352 6/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 4/20 0.40
MAPK10 P53779 1/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 2/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MC4R P32245 1/20 0.40
CASP3 P42574 2/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
NTSR1 P30989 1/20 0.37
RECQL P46063 1/20 0.37
CACNA1B Q00975 1/20 0.37

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
SCHEMBL110590 0.98 MAOA (0.57) MAOAMAOBBCL2ALDH1A1KDM4E
SCHEMBL31085461 0.98 MAOA (0.57) MAOAMAOBBCL2ALDH1A1KDM4E
Zinc Ion SCHEMBL8672070 0.95 MAOA (0.55) MAOAMAOBBCL2ALDH1A1KDM4E
SCHEMBL27857314 0.84 MAOA (0.44) MAOAMAOBBCL2ALDH1A1KDM4E
SCHEMBL11605019 0.80 MAOA (0.42) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL11601116 0.78 MAOA (0.40) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL11604133 0.75 KDM4E (0.38) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL11604541 0.75 CASP3 (0.40) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL7078965 0.75 GSK3B (0.50) MAOAMAOBALDH1A1KDM4EHPGD
SCHEMBL30091416 0.75 GSK3B (0.50) MAOAMAOBALDH1A1KDM4EHPGD

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
CN-106336535-A Track vehicle loading wheel tread rubber and preparation method thereof 济南鲁联集团橡胶制品有限公司 2017-01-18 CN disclosed