SCHEMBL7428442

SCHEMBL7428442

CCOC(=O)Cc1ccc(NC(=S)Nc2ccccc2C)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.56
ALDH1A1 P00352 6/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.52
HPGD P15428 2/20 0.51
PKM P14618 1/20 0.51
RAB9A P51151 1/20 0.51
MAPT P10636 3/20 0.50
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
EPHX1 P07099 1/20 0.48

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
SCHEMBL5154921 0.84 ALDH1A1 (0.64) LMNAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL4049111 0.80 ALDH1A1 (0.63) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5153509 0.77 USP2 (0.61) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4369727 0.75 MAPT (0.72) LMNAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL2432662 0.75 HTT (0.50) LMNAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL10685516 0.75 PPID (0.63) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5157218 0.75 NPC1 (0.59) LMNAALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11598073 0.74 ALDH1A1 (0.75) LMNAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL7760696 0.74 ALDH1A1 (0.75) LMNAALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL23727265 0.74 EPHX1 (0.65) LMNAALDH1A1MEN1KMT2AL3MBTL1

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
EP-1235793-A2 VLA-4 INTEGRIN ANTAGONISTS Novartis AG (CH) 2002-09-04 EP disclosed
WO-2001042192-A2 VLA-4 INTEGRIN ANTAGONISTS NOVARTIS AG (CH) 2001-06-14 WO disclosed