SCHEMBL5315591

SCHEMBL5315591

CCOC(=O)c1cnc2ccccc2c1NCCc1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.77
MEN1 O00255 1/20 0.77
PKM P14618 1/20 0.77
MAPT P10636 9/20 0.76
SMN1; SMN2 Q16637 4/20 0.76
TP53 P04637 2/20 0.76
NPSR1 Q6W5P4 2/20 0.74
THRB P10828 1/20 0.68
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 4/20 0.62
LMNA P02545 2/20 0.61
HPGD P15428 2/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
TDP1 Q9NUW8 1/20 0.60
ADORA1 P30542 1/20 0.59
POLB P06746 1/20 0.59
MAPK1 P28482 2/20 0.58
RXFP1 Q9HBX9 1/20 0.58

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
Hydrochloric Acid SCHEMBL11242122 0.87 MAPT (0.75) KMT2AMEN1PKMMAPTSMN1; SMN2
SCHEMBL5501450 0.85 KMT2A (0.76) KMT2AMEN1PKMMAPTSMN1; SMN2
SCHEMBL2045638 0.85 KMT2A (0.79) KMT2AMEN1PKMMAPTSMN1; SMN2
SCHEMBL5505918 0.84 KMT2A (0.77) KMT2AMEN1PKMMAPTSMN1; SMN2
SCHEMBL5673839 0.84 MAPT (0.71) KMT2AMEN1PKMMAPTSMN1; SMN2
SCHEMBL5506586 0.83 KMT2A (0.76) KMT2AMEN1PKMMAPTSMN1; SMN2
SCHEMBL5505490 0.83 KMT2A (0.65) KMT2AMEN1PKMMAPTSMN1; SMN2
SCHEMBL9175601 0.82 MEN1 (0.74) KMT2AMEN1PKMMAPTSMN1; SMN2
SCHEMBL530155 0.82 KMT2A (0.78) KMT2AMEN1PKMMAPTSMN1; SMN2
SCHEMBL5501524 0.82 KMT2A (0.74) KMT2AMEN1PKMMAPTSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070148185-A1 Novel therapeutic target for protozoal diseases VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2007-06-28 US claimed
WO-2007047579-A2 A NOVEL THERAPEUTIC TARGET FOR PROTOZOAL DISEASES VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2007-04-26 WO claimed