SCHEMBL6938002

SCHEMBL6938002

O=C(Nc1ccncc1)Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.66
KMT2A Q03164 11/20 0.66
MAPT P10636 7/20 0.62
MAPK1 P28482 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
HPGD P15428 3/20 0.62
HTT P42858 2/20 0.62
ALDH1A1 P00352 5/20 0.61
POLB P06746 2/20 0.59
MITF O75030 1/20 0.59
LMNA P02545 3/20 0.58
NPSR1 Q6W5P4 2/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 1/20 0.56
MYOC Q99972 1/20 0.56
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
MDM2 Q00987 1/20 0.54
KDR P35968 1/20 0.52
TAAR1 Q96RJ0 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
SCHEMBL6939392 0.91 MEN1 (0.79) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL3460442 0.91 MEN1 (0.79) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL6943770 0.85 KMT2A (0.65) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL6937999 0.85 MEN1 (0.53) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL1880235 0.85 MAPT (0.74) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL6943802 0.84 MEN1 (0.68) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL6941464 0.84 MEN1 (0.68) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL6936821 0.84 MEN1 (0.68) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL6937512 0.83 ABCG2 (0.63) MEN1KMT2AMAPTMAPK1SMN1; SMN2
SCHEMBL11768264 0.82 MEN1 (0.69) MEN1KMT2AMAPTMAPK1SMN1; 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 4 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
EP-1042278-A1 1,3-DISUBSTITUTED UREAS AS ACAT INHIBITORS, AND METHOD OF PREPARING THEREOF Slovakofarma, A.S. (SK) 2000-10-11 EP disclosed
WO-1999032437-A1 1,3-DISUBSTITUTED UREAS AS ACAT INHIBITORS, AND METHOD OF PREPARING THEREOF SLOVAKOFARMA, A.S. (SK) 1999-07-01 WO disclosed