SCHEMBL6937512

SCHEMBL6937512

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.63
MEN1 O00255 9/20 0.63
KMT2A Q03164 9/20 0.63
MAPT P10636 6/20 0.63
HPGD P15428 3/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
MAPK1 P28482 3/20 0.63
HTT P42858 2/20 0.63
EPHX2 P34913 2/20 0.59
LMNA P02545 3/20 0.55
ALDH1A1 P00352 3/20 0.54
NPSR1 Q6W5P4 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54
MYOC Q99972 1/20 0.54
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51

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
SCHEMBL6301913 0.92 MEN1 (0.74) ABCG2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6939392 0.89 MEN1 (0.79) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL6941136 0.88 TRPV1 (0.64) ABCG2MEN1KMT2AMAPTHPGD
SCHEMBL6937509 0.87 ABCG2 (0.68) ABCG2MEN1KMT2AMAPTHPGD
SCHEMBL6943802 0.85 MEN1 (0.68) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL8109093 0.84 MEN1 (0.78) ABCG2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL6938002 0.83 MEN1 (0.66) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL6938062 0.83 ABCG2 (0.59) ABCG2MEN1KMT2AMAPTHPGD
SCHEMBL6941464 0.82 MEN1 (0.68) MEN1KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL6936821 0.82 MEN1 (0.68) MEN1KMT2AMAPTHPGDSMN1; 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