SCHEMBL13662985

SCHEMBL13662985

C=CC1NCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PRCP P42785 2/20 0.37
DRD1 P21728 3/20 0.36
TP53 P04637 2/20 0.36
CYP1A2 P05177 2/20 0.36
MAPK1 P28482 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
DRD2 P14416 2/20 0.36
DRD4 P21917 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL27808728 0.81 PRCP (0.53) MEN1KMT2APRCPMAPTTSHR
SCHEMBL23285173 0.81 PRCP (0.53) MEN1KMT2APRCPMAPTTSHR
SCHEMBL28320030 0.80 CYP2D6 (0.42) CYP2D6CYP3A4MEN1KMT2APRCP
SCHEMBL30435099 0.80 CYP2D6 (0.38) CYP2D6CYP3A4MEN1KMT2APRCP
SCHEMBL3087062 0.80 CYP2D6 (0.38) CYP2D6CYP3A4MEN1KMT2APRCP
SCHEMBL28312831 0.77 CYP2D6 (0.40) CYP2D6CYP3A4MEN1KMT2APRCP
SCHEMBL30827216 0.77 CYP2D6 (0.40) CYP2D6CYP3A4MEN1KMT2APRCP
SCHEMBL23640965 0.77 ALDH1A1 (0.35) CYP2D6CYP3A4MEN1KMT2APRCP
SCHEMBL6066100 0.76 HTR1A (0.40) MEN1KMT2APRCPMAPK1ALDH1A1
Trimethylammonium SCHEMBL28784704 0.74 ALDH1A1 (0.36) CYP2D6CYP3A4MEN1KMT2APRCP

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
CN-117362661-A Hyperbranched carbon-nitrogen heterocyclic resin and resin composition, prepreg, circuit substrate and printed circuit board thereof 浙江华正新材料股份有限公司 2024-01-09 CN disclosed
US-20090253635-A1 PEPTIDES AND PEPTIDOMIMETICS HAVING ANTI-PROLIFERATIVE ACTIVITY AND/OR THAT AUGMENT NUCLEIC ACID DAMAGING AGENTS OR TREATMENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-7476657-B2 Peptides and peptidomimetics having anti-proliferative activity and/or that augment nucleic acid damaging agents or treatments TAKEDA PHAMACEUTICAL COMPANY LIMITED (JP) 2009-01-13 US disclosed