SCHEMBL6942228

SCHEMBL6942228

O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.59
KMT2A Q03164 12/20 0.59
MAPT P10636 9/20 0.58
NPC1 O15118 5/20 0.58
RAB9A P51151 4/20 0.58
MAPK1 P28482 4/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
HPGD P15428 3/20 0.56
HTT P42858 3/20 0.56
NPSR1 Q6W5P4 2/20 0.55
MYOC Q99972 1/20 0.55
KDR P35968 1/20 0.54
CA2 P00918 1/20 0.53
LMNA P02545 4/20 0.53
ALDH1A1 P00352 2/20 0.52
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
APEX1 P27695 1/20 0.50
DDX3X O00571 1/20 0.50
POLB P06746 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
SCHEMBL6942225 0.88 MEN1 (0.49) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6939392 0.86 MEN1 (0.79) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL8560807 0.82 MAPT (0.58) MEN1KMT2AMAPTRAB9AMAPK1
SCHEMBL6944035 0.81 MAPT (0.59) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6940443 0.81 MEN1 (0.62) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6941464 0.80 MEN1 (0.68) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6943802 0.80 MEN1 (0.68) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6936821 0.80 MEN1 (0.68) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL7625813 0.79 MEN1 (0.62) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6937549 0.79 MEN1 (0.63) MEN1KMT2AMAPTNPC1RAB9A

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