SCHEMBL1378618

SCHEMBL1378618

O=C(Nc1c[nH]cn1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
CCNA2 P20248 1/20 0.54
CDK2 P24941 1/20 0.54
CCNA1 P78396 1/20 0.54
HCAR3 P49019 1/20 0.53
RAB9A P51151 7/20 0.51
NPC1 O15118 6/20 0.51
HDAC6 Q9UBN7 1/20 0.51
KDM4E B2RXH2 1/20 0.47
ADORA3 P0DMS8 1/20 0.46
ADORA1 P30542 1/20 0.46
MDM4 O15151 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL29220747 0.76 HCAR3 (0.71) KMT2AMEN1HCAR3RAB9ANPC1
SCHEMBL13396455 0.76 HDAC6 (0.58) KMT2AMEN1CCNA2CDK2CCNA1
SCHEMBL7728110 0.75 KMT2A (0.60) KMT2AMEN1RAB9ANPC1KDM4E
SCHEMBL6499835 0.73 EGFR (0.65) KMT2AMEN1CCNA2CDK2CCNA1
SCHEMBL29366822 0.73 RAB9A (0.89) KMT2AMEN1HCAR3RAB9ANPC1
SCHEMBL997866 0.73 RAB9A (0.89) KMT2AMEN1HCAR3RAB9ANPC1
SCHEMBL11128707 0.72 MEN1 (0.56) KMT2AMEN1CCNA2CDK2CCNA1
SCHEMBL4759340 0.72 NPC1 (0.51) KMT2AMEN1RAB9ANPC1HDAC6
SCHEMBL8425212 0.72
SCHEMBL821839 0.72 KMT2A (1.00) KMT2AMEN1CCNA2CDK2CCNA1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4791460-B2 2011-10-12 JP claimed
CN-116606246-A Silver complex antibacterial agent with aromatic amide structure-containing nitrogen heterocyclic derivative as ligand, and preparation method and application thereof 烟台哈尔滨工程大学研究院 2023-08-18 CN disclosed
EP-2300438-A1 IMIDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF FAAH Merck Sharp & Dohme Corp. (US) 2011-03-30 EP disclosed