SCHEMBL7913607

SCHEMBL7913607

COc1ccccc1-c1cc(=O)c2c(C)cc(C)nc2[nH]1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.49
LOXL3 P58215 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
CCNB2 O95067 1/20 0.49
CDK1 P06493 1/20 0.49
CCNB1 P14635 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
CDK5 Q00535 1/20 0.49
CDK5R1 Q15078 1/20 0.49
CCNB3 Q8WWL7 1/20 0.49
MPO P05164 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 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
SCHEMBL7920467 0.82 CCNB2 (0.59) LOXLOXL3LOXL2CCNB2CDK1
SCHEMBL7921842 0.81 ADORA2A (0.69) ADORA2AADORA1
SCHEMBL7913610 0.77 KDM4E (0.49) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL8107995 0.74 ALDH1A1 (0.50) ALDH1A1KMT2ASMN1; SMN2NPSR1ADORA2A
SCHEMBL7920474 0.74 ADORA2A (0.65) ALDH1A1KMT2ASMN1; SMN2NPSR1ADORA2A
SCHEMBL7925155 0.73 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2NPSR1ADORA2A
SCHEMBL7921784 0.73 ALDH1A1 (0.51) ALDH1A1KMT2ASMN1; SMN2NPSR1ADORA2A
SCHEMBL31747987 0.73 MPO (0.56) LOXLOXL3LOXL2CCNB2CDK1
SCHEMBL7920464 0.72 CCNB2 (0.52) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL7922293 0.72 CCNB2 (0.61) CCNB2CDK1CCNB1GSK3AGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6229016-B1 PYRIDOPYRIMIDINE DERIVATIVES AS CHEMICAL INTERMEDIATES; POLYMERIZATION INHIBITION OF TUBULIN THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2001-05-08 US disclosed
US-6071930-A FOR INHIBITION OF MITOSIS OR TUMOR GROWTH THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-06-06 US disclosed
EP-0971921-A1 2-ARYL-NAPHTHYRIDIN-4-ONES AS ANTITUMOR AGENTS The University of North Carolina at Chapel Hill (US) 2000-01-19 EP disclosed
US-5994367-A PREVENT CELL MITOSIS; ANTICARCINOGENIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-11-30 US disclosed
WO-1998039332-A1 2-ARYL-NAPHTHYRIDIN-4-ONES AS ANTITUMOR AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1998-09-11 WO disclosed