SCHEMBL10078299

SCHEMBL10078299

CC1Nc2cccc3cccc(c23)NC1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 18/20 0.55
KMT2A Q03164 18/20 0.55
NPC1 O15118 6/20 0.55
MAPT P10636 8/20 0.55
ALDH1A1 P00352 7/20 0.55
HPGD P15428 5/20 0.55
ALOX15 P16050 4/20 0.55
THRB P10828 3/20 0.55
MAPK1 P28482 3/20 0.55
HSD17B10 Q99714 3/20 0.55
ALOX12 P18054 3/20 0.55
USP2 O75604 2/20 0.55
POLB P06746 2/20 0.55
NR4A1 P22736 1/20 0.55
BRCA1 P38398 1/20 0.55
BLM P54132 1/20 0.55
GAA P10253 8/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
KDM4E B2RXH2 7/20 0.52
HPN P05981 1/20 0.52

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
SCHEMBL30570964 0.76 CREBBP (0.50) MEN1KMT2ANPC1MAPTALOX15
SCHEMBL6587899 0.76 CREBBP (0.50) MEN1KMT2ANPC1MAPTALOX15
SCHEMBL13330038 0.76 MEN1 (0.55) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL15040890 0.76 MEN1 (0.55) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL19262253 0.76 MEN1 (0.50) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL13035675 0.74 MEN1 (0.84) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL11509136 0.73 MEN1 (0.49) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL4160714 0.71 MEN1 (0.70) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL13856670 0.71 MEN1 (1.00) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL13035685 0.71 MEN1 (1.00) MEN1KMT2ANPC1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012016133-A2 ROS1 KINASE INHIBITORS FOR THE TREATMENT OF GLIOBLASTOMA AND OTHER P53-DEFICIENT CANCERS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-02-02 WO disclosed