SCHEMBL7563700

SCHEMBL7563700

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 2/20 0.51
TUBB P07437 2/20 0.51
TUBA3C P0DPH7 2/20 0.51
TUBA1B P68363 2/20 0.51
TUBA4A P68366 2/20 0.51
TUBB4B P68371 2/20 0.51
TUBB3 Q13509 2/20 0.51
TUBB2A Q13885 2/20 0.51
TUBB8 Q3ZCM7 2/20 0.51
TUBA3E Q6PEY2 2/20 0.51
TUBA1A Q71U36 2/20 0.51
TUBA1C Q9BQE3 2/20 0.51
TUBB6 Q9BUF5 2/20 0.51
TUBB2B Q9BVA1 2/20 0.51
TUBB1 Q9H4B7 2/20 0.51
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
KDM1A O60341 1/20 0.46
MAPT P10636 2/20 0.45

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
SCHEMBL8618775 0.80 MAPT (0.54) MAPTALDH1A1ADK
SCHEMBL8616869 0.80 KDM4E (0.55) PDGFRBPDGFRAADORA3MAPTALDH1A1
SCHEMBL5710084 0.80 KDM4E (0.55) PDGFRBPDGFRAADORA3MAPTALDH1A1
SCHEMBL7562633 0.79 PTGS2 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8622692 0.78 PDGFRB (0.48) PDGFRBPDGFRAADORA3MAPTALDH1A1
SCHEMBL25391019 0.76 FYN (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9695159 0.76 LTB4R (0.50) PDGFRBPDGFRAADORA3MAPTMEN1
SCHEMBL7504138 0.76 KDM4E (0.60) MAPTMEN1KMT2AALDH1A1GFER
SCHEMBL7556935 0.74 ACVR1 (0.57) ADORA3MAPTALDH1A1MAPK1FYN
SCHEMBL18867181 0.74 ALDH1A1 (0.56) ADORA3MAPTMEN1KMT2AALDH1A1

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