SCHEMBL4633579

SCHEMBL4633579

O=C(O)Oc1ncccc1NC(=O)c1ccc(Cl)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.55
RAB9A P51151 8/20 0.55
KMT2A Q03164 8/20 0.55
HPGD P15428 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 6/20 0.49
MAPT P10636 2/20 0.47
KDM4E B2RXH2 5/20 0.46
LMNA P02545 4/20 0.46
ALOX15 P16050 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
TSHR P16473 2/20 0.45
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
STK33 Q9BYT3 1/20 0.43

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
SCHEMBL4633520 0.88 KMT2A (0.53) NPC1RAB9AKMT2AHPGDSMN1; SMN2
SCHEMBL3618064 0.82 NPC1 (0.60) NPC1RAB9AKMT2AHPGDSMN1; SMN2
SCHEMBL4633171 0.79 KMT2A (0.46) NPC1RAB9AKMT2AHPGDSMN1; SMN2
SCHEMBL3622350 0.79 KMT2A (0.58) NPC1RAB9AKMT2AHPGDSMN1; SMN2
SCHEMBL29911206 0.77 KDR (0.62) NPC1RAB9AKMT2AHPGDSMN1; SMN2
SCHEMBL17552235 0.77 KDR (0.62) NPC1RAB9AKMT2AHPGDSMN1; SMN2
SCHEMBL4633611 0.75 KMT2A (0.48) NPC1RAB9AKMT2AHPGDSMN1; SMN2
SCHEMBL4634602 0.75 KMT2A (0.46) NPC1RAB9AKMT2AHPGDSMN1; SMN2
SCHEMBL4634559 0.75 KMT2A (0.49) NPC1RAB9AKMT2AHPGDSMN1; SMN2
SCHEMBL3617679 0.73 RAB9A (0.59) NPC1RAB9AKMT2AHPGDSMN1; SMN2

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