SCHEMBL6943770

SCHEMBL6943770

O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)Nc1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.65
MEN1 O00255 5/20 0.65
CYP11B1 P15538 1/20 0.63
CYP11B2 P19099 1/20 0.63
ALDH1A1 P00352 3/20 0.60
NAMPT P43490 1/20 0.60
POLB P06746 3/20 0.58
RAB9A P51151 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
NPC1 O15118 3/20 0.57
MAPT P10636 3/20 0.57
HPGD P15428 2/20 0.55
HTT P42858 2/20 0.55
MAPK1 P28482 1/20 0.55
KDR P35968 1/20 0.53
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52

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
SCHEMBL8373850 0.92 KMT2A (0.75) KMT2AMEN1CYP11B1CYP11B2ALDH1A1
SCHEMBL6943767 0.86 KMT2A (0.58) KMT2AMEN1CYP11B1CYP11B2ALDH1A1
SCHEMBL6938002 0.85 MEN1 (0.66) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL6939392 0.85 MEN1 (0.79) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL13265723 0.82 CYP11B1 (0.69) KMT2AMEN1CYP11B1CYP11B2ALDH1A1
SCHEMBL13265690 0.80 CYP11B2 (0.63) KMT2AMEN1CYP11B1CYP11B2ALDH1A1
SCHEMBL3180203 0.79 KMT2A (1.00) KMT2AMEN1CYP11B1CYP11B2ALDH1A1
SCHEMBL6939719 0.79 KDR (0.61) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL6943802 0.79 MEN1 (0.68) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL6936821 0.79 MEN1 (0.68) KMT2AMEN1ALDH1A1POLBRAB9A

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-1042278-B1 1,3-DISUBSTITUTED UREAS AS ACAT INHIBITORS, AND METHOD OF PREPARING THEREOF SLOVAKOFARMA AS (SK) 2003-03-05 EP disclosed
US-6444691-B1 ANTICHOLESTEROL AGENTS SOLVAKOFARMA, A.S. (SK) 2002-09-03 US disclosed