SCHEMBL7920472

SCHEMBL7920472

COc1ccccc1-c1cc(=O)n2c(C)cc(C)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.48
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
HSP90AA1 P07900 2/20 0.46
PDE10A Q9Y233 1/20 0.44
STAT3 P40763 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HSP90AB1 P08238 1/20 0.42
ADORA3 P0DMS8 3/20 0.41
HPGD P15428 2/20 0.41
ADORA1 P30542 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ADORA2A P29274 2/20 0.41
IDH1 O75874 1/20 0.40
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL7920397 0.86 HSP90AA1 (0.50) DCTPP1KDM4EALDH1A1POLBGAA
SCHEMBL8102290 0.81 MEN1 (0.40) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL7920470 0.80 KDM4E (0.54) DCTPP1KDM4EALDH1A1POLBGAA
SCHEMBL8101679 0.77 MEN1 (0.53) KDM4EALDH1A1PDE10AHSD17B10ADORA3
SCHEMBL32688343 0.77 DCTPP1 (0.48) DCTPP1KDM4EALDH1A1POLBGAA
SCHEMBL7920187 0.77 DCTPP1 (0.48) DCTPP1KDM4EALDH1A1POLBGAA
SCHEMBL7913582 0.76 KDM4E (0.51) KDM4EALDH1A1HSD17B10HPGDRAB9A
SCHEMBL7920089 0.75 HSP90AA1 (0.49) DCTPP1KDM4EALDH1A1POLBGAA
SCHEMBL8106201 0.74 CTRC (0.45) KDM4EALDH1A1GAATSHRHSD17B10
SCHEMBL8108277 0.74 RAD51 (0.55) KDM4EALDH1A1GAAADORA3HPGD

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
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
US-5994367-A PREVENT CELL MITOSIS; ANTICARCINOGENIC AGENTS THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-11-30 US disclosed