SCHEMBL9869785

SCHEMBL9869785

COc1cc(-c2cc(C)nc3nccn23)cc(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.45
TUBB P07437 4/20 0.45
TUBA3C P0DPH7 4/20 0.45
TUBA1B P68363 4/20 0.45
TUBA4A P68366 4/20 0.45
TUBB4B P68371 4/20 0.45
TUBB3 Q13509 4/20 0.45
TUBB2A Q13885 4/20 0.45
TUBB8 Q3ZCM7 4/20 0.45
TUBA3E Q6PEY2 4/20 0.45
TUBA1A Q71U36 4/20 0.45
TUBA1C Q9BQE3 4/20 0.45
TUBB6 Q9BUF5 4/20 0.45
TUBB2B Q9BVA1 4/20 0.45
TUBB1 Q9H4B7 4/20 0.45
PDE5A O76074 1/20 0.45
PDE6A P16499 1/20 0.45
PDE1B Q01064 1/20 0.45
PDE3A Q14432 1/20 0.45
CKS1B P61024 1/20 0.43

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
SCHEMBL9869035 0.85 MAPT (0.44) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9870329 0.81 TUBB4A (0.53) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL9870091 0.75 KDM4E (0.55) SMN1; SMN2GAAKDM4EALDH1A1MAPT
SCHEMBL11009148 0.75 BACE1 (0.49) SMN1; SMN2KDM4EALDH1A1MAPTHPGD
SCHEMBL11009952 0.71 CYP2A6 (0.46) SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL9869878 0.70 KDM4E (0.44) SMN1; SMN2GAAKDM4EALDH1A1MAPT
SCHEMBL9329531 0.69 PDE2A (0.37) GAAKDM4EALDH1A1HPGD
SCHEMBL259043 0.68 KDM4E (0.50) SMN1; SMN2GAAKDM4EALDH1A1MAPT
SCHEMBL9870239 0.67 KDM4E (0.43) GAAKDM4EALDH1A1MAPT
SCHEMBL1681759 0.65 DPP4 (0.39) BRD4SMN1; SMN2GAAKDM4EALDH1A1

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
US-5037980-A Anxiolytic agents, hypotensive agents AMERICAN CYANAMID COMPANY (US) 1991-08-06 US claimed
US-5037980-A Anxiolytic agents, hypotensive agents AMERICAN CYANAMID COMPANY (US) 1991-08-06 US disclosed