SCHEMBL8104826

SCHEMBL8104826

O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)Nc1ccccc1Cl

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.78
MEN1 O00255 9/20 0.78
MAPT P10636 8/20 0.78
NPSR1 Q6W5P4 3/20 0.78
LMNA P02545 2/20 0.78
NPC1 O15118 4/20 0.72
RAB9A P51151 4/20 0.72
MAPK1 P28482 4/20 0.72
MYOC Q99972 1/20 0.72
POLB P06746 2/20 0.56
GAA P10253 2/20 0.56
CASP3 P42574 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
KDM4E B2RXH2 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
PPIA P62937 1/20 0.55
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53

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
SCHEMBL30516130 0.88 MEN1 (1.00) KMT2AMEN1MAPTNPSR1LMNA
SCHEMBL20211616 0.88 MEN1 (1.00) KMT2AMEN1MAPTNPSR1LMNA
SCHEMBL7622098 0.88 MAPT (0.61) KMT2AMEN1MAPTNPSR1LMNA
SCHEMBL28501095 0.87 KMT2A (0.64) KMT2AMEN1MAPTNPSR1LMNA
SCHEMBL8105065 0.86 MEN1 (0.74) KMT2AMEN1MAPTNPSR1LMNA
SCHEMBL8103164 0.85 MEN1 (0.69) KMT2AMEN1MAPTNPSR1LMNA
SCHEMBL11832409 0.85 MEN1 (0.88) KMT2AMEN1MAPTNPSR1LMNA
SCHEMBL11027238 0.85 MEN1 (0.88) KMT2AMEN1MAPTNPSR1LMNA
SCHEMBL11004478 0.85 MEN1 (1.00) KMT2AMEN1MAPTNPSR1LMNA
SCHEMBL6939610 0.85 MAPT (0.58) KMT2AMEN1MAPTNPSR1LMNA

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-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