SCHEMBL4633562

SCHEMBL4633562

Cc1cccnc1N(C(=O)c1ccc(Cl)s1)c1ccc(N(C#N)CCO[Si](C)(C)C(C)(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 5/20 0.33
HTT P42858 1/20 0.33
RAD52 P43351 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.32
HPGD P15428 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
RECQL P46063 1/20 0.31
MCL1 Q07820 1/20 0.31
THRB P10828 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL3623718 0.78 NPC1 (0.37) MAPTALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL3616443 0.77 KMT2A (0.36) MAPTALDH1A1TSHRGAAHPGD
SCHEMBL3618059 0.72 PRSS12 (0.40) MAPTALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL3617006 0.72 PRSS12 (0.37) MAPTALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL3621092 0.72 PRSS12 (0.39) MAPTALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL3614431 0.72 PRSS12 (0.39) MAPTALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL3611094 0.71 NPC1 (0.35) DGAT1MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL3622782 0.70 PRSS12 (0.38) MAPTALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL3617278 0.70 KDM4E (0.48) MAPTALDH1A1HTTSMN1; SMN2TSHR
SCHEMBL3619119 0.70 PRSS12 (0.39) MAPTALDH1A1HTTSMN1; SMN2TSHR

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-1928868-A1 IMINOOXAZOLIDINE DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2008-06-11 EP disclosed
WO-2007028520-A1 IMINOOXAZOLIDINE DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-03-15 WO disclosed