SCHEMBL7086925

SCHEMBL7086925

COc1ccccc1-c1[c]n2c(C)cc(C)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
KDM4E B2RXH2 4/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
PDE10A Q9Y233 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
HPGD P15428 4/20 0.40
TP53 P04637 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TSHR P16473 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HSP90AA1 P07900 1/20 0.39
LMNA P02545 2/20 0.36
MAPT P10636 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
SCHEMBL7086502 0.88 TP53 (0.40) ALDH1A1KDM4EGAAPOLBPDE10A
SCHEMBL7920472 0.68 DCTPP1 (0.48) ALDH1A1KDM4EGAAPOLBPDE10A
SCHEMBL14451012 0.62 APP (0.52) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL30914257 0.62 APP (0.52) ALDH1A1KDM4ESMN1; SMN2HPGDRAB9A
SCHEMBL29429633 0.62 CA1 (0.71) ALDH1A1KDM4EGAASMN1; SMN2HPGD
SCHEMBL301996 0.62 CA1 (0.71) ALDH1A1KDM4EGAASMN1; SMN2HPGD
SCHEMBL29788337 0.62 CA1 (0.71) ALDH1A1KDM4EGAASMN1; SMN2HPGD
SCHEMBL19537477 0.61 HSP90AA1 (0.58) ALDH1A1KDM4EGAAPOLBSMN1; SMN2
SCHEMBL7995059 0.61 ADRA1D (0.56) ALDH1A1KDM4EGAAPOLBSMN1; SMN2
SCHEMBL23066466 0.61 ALDH1A1 (0.61) ALDH1A1KDM4EGAASMN1; SMN2HPGD

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
EP-1326613-A1 USE OF SUBSTITUTED IMIDAZO 1,2-A]PYRIDINE-, IMIDAZO 1,2-A]PYRIMIDINE AND IMIDAZO 1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2003-07-16 EP claimed
WO-2002030428-A1 USE OF SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE-, IMIDAZO[1,2-A]PYRIMIDINE AND IMIDAZO[1,2-A]PYRAZINE-3-YL-AMINE DERIVATIVES FOR PRODUCING NOS-INHIBITING MEDICAMENTS Grünenthal GmbH (DE) 2002-04-18 WO claimed