SCHEMBL7556935

SCHEMBL7556935

COc1cc(-c2cc(-c3ccc(N4CCCC4)cc3)cc(-c3cc(OC)c(OC)c(OC)c3)n2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 12/20 0.57
TGFBR1 P36897 12/20 0.57
ACVR1B P36896 4/20 0.57
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
CYP3A4 P08684 1/20 0.52
MAPT P10636 1/20 0.52
CYP2C19 P33261 1/20 0.52
BMPR1A P36894 2/20 0.49
ACVRL1 P37023 2/20 0.49
FYN P06241 1/20 0.49
RIPK2 O43353 1/20 0.49
KCNH2 Q12809 2/20 0.48
BMPR1B O00238 1/20 0.48
ABL1 P00519 1/20 0.48
ADRA2A P08913 1/20 0.48
CNR1 P21554 1/20 0.48

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
SCHEMBL8621114 0.81 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10ABL1
SCHEMBL7499867 0.78 ACVR1 (0.56) ACVR1TGFBR1ACVR1BKDM4EALDH1A1
SCHEMBL5207666 0.76 TGFBR1 (0.49) ACVR1TGFBR1ACVR1BKDM4EALDH1A1
SCHEMBL7562633 0.74 PTGS2 (0.51) KDM4EALDH1A1MAPTADORA3
SCHEMBL7563700 0.74 TUBB4A (0.51) ALDH1A1MAPTFYNMAPK1ADORA3
SCHEMBL19079607 0.74 TGFBR1 (0.80) ACVR1TGFBR1ACVR1BBMPR1AACVRL1
SCHEMBL9829916 0.74 ALDH1A1 (0.55) KDM4EALDH1A1HPGDTSHRCYP3A4
SCHEMBL10979023 0.74 ALDH1A1 (0.52) KDM4EALDH1A1HPGDTSHRHSD17B10
SCHEMBL5209830 0.73 TGFBR1 (0.52) ACVR1TGFBR1ACVR1BKDM4EALDH1A1
SCHEMBL8621175 0.73 MAPT (0.43) KDM4EALDH1A1HPGDHSD17B10MAPT

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-1222169-A1 NOVEL TRISUBSTITUTED PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2002-07-17 EP disclosed
WO-2001025204-A1 NOVEL TRISUBSTITUTED PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2001-04-12 WO disclosed