SCHEMBL4633508

SCHEMBL4633508

Cc1sccc1NC(=O)c1ccc(Cl)s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.67
KMT2A Q03164 9/20 0.67
MEN1 O00255 7/20 0.67
TSHR P16473 1/20 0.67
NPC1 O15118 10/20 0.57
RAB9A P51151 10/20 0.57
ALDH1A1 P00352 9/20 0.57
HPGD P15428 6/20 0.57
MAPT P10636 2/20 0.57
SMN1; SMN2 Q16637 7/20 0.56
POLB P06746 1/20 0.56
NFKB1 P19838 3/20 0.52
NFKB2 Q00653 3/20 0.52
RELA Q04206 3/20 0.52
TP53 P04637 3/20 0.52
CASP1 P29466 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MAPK1 P28482 2/20 0.52
CASP7 P55210 1/20 0.52
GAA P10253 1/20 0.50

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
SCHEMBL3622444 0.81 MEN1 (0.73) KDM4EKMT2AMEN1TSHRNPC1
SCHEMBL4633514 0.80 KMT2A (0.64) KDM4EKMT2AMEN1TSHRNPC1
SCHEMBL3617391 0.80 KDM4E (1.00) KDM4EKMT2AMEN1TSHRNPC1
SCHEMBL4633510 0.78 KMT2A (0.65) KDM4EKMT2AMEN1TSHRNPC1
SCHEMBL29035358 0.73 NPC1 (0.45) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL28397771 0.71 L3MBTL1 (0.63) KDM4EKMT2AMEN1NPC1RAB9A
SCHEMBL13617121 0.71 HPGD (0.48) KMT2AMEN1NPC1RAB9AALDH1A1
SCHEMBL8244239 0.71 KDM4E (0.62) KDM4EKMT2AMEN1TSHRNPC1
SCHEMBL23934267 0.71 HPGD (0.53) KDM4EKMT2AMEN1TSHRNPC1
SCHEMBL23934282 0.70 KDM4E (0.59) KDM4EKMT2AMEN1TSHRNPC1

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