SCHEMBL6771783

SCHEMBL6771783

O=[N+]([O-])c1ccc(Nc2ccc3ncc(-c4ccccc4)nc3n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
MAPT P10636 4/20 0.52
LMNA P02545 1/20 0.52
ABCG2 Q9UNQ0 5/20 0.52
ABCB1 P08183 1/20 0.52
ABCC1 P33527 1/20 0.52
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
MAPK1 P28482 4/20 0.47
KDM4E B2RXH2 1/20 0.47
GLA P06280 1/20 0.47
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PIK3CA P42336 2/20 0.47
MAPK8 P45983 2/20 0.47
MAPK9 P45984 2/20 0.47

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
SCHEMBL5757398 0.89 PIK3CA (0.52) RAB9ANPC1MEN1KMT2AMAPK1
SCHEMBL6762843 0.88 BCHE (0.56) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5759348 0.85 MAPK1 (0.53) RAB9AMEN1KMT2AMAPTMAPK1
SCHEMBL5760302 0.83 SMN1; SMN2 (0.55) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5757148 0.82 LMNA (0.52) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL6765135 0.82 TP53 (0.50) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL6767084 0.82 PIK3CA (0.49) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL6765225 0.81 ABCG2 (0.50) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5759397 0.81 NPC1 (0.57) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5761732 0.79 ABCG2 (0.48) ABCG2MAPK1PIK3CAMAPK8MAPK9

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
US-6727252-B1 THE SERINE/THREONINE KINASE FAMILY INCLUDES MEMBERS THAT REGULATE CELL GROWTH, MIGRATION, DIFFERENTIATION, GENE EXPRESSION, MUSCLE CONTRACTION, GLUCOSE METABOLISM, CELLULAR PROTEIN SYNTHESIS, AND REGULATION OF THE CELL CYCLE ZENTARIS AG (DE) 2004-04-27 US disclosed
US-6180631-B1 PREVENTING AND TREATING SERINE/THREONINE PROTEIN KINASE-RELATED ABNORMAL CONDITIONS IN MAMMALS ASSOCIATED WITH AN ABERRATION IN A SIGNAL TRANSDUCTION PATHWAY SUCH AS CANCER OR A FIBROTIC DISORDER ASTA MEDICA AKTIENGESELLSCHAFT (DE) 2001-01-30 US disclosed