SCHEMBL9869035

SCHEMBL9869035

COc1ccc(-c2cc(C)nc3nccn23)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
TUBB4A P04350 2/20 0.41
TUBB P07437 2/20 0.41
TUBA3C P0DPH7 2/20 0.41
TUBA1B P68363 2/20 0.41
TUBA4A P68366 2/20 0.41
TUBB4B P68371 2/20 0.41
TUBB3 Q13509 2/20 0.41
TUBB2A Q13885 2/20 0.41
TUBB8 Q3ZCM7 2/20 0.41
TUBA3E Q6PEY2 2/20 0.41
TUBA1A Q71U36 2/20 0.41
TUBA1C Q9BQE3 2/20 0.41
TUBB6 Q9BUF5 2/20 0.41
TUBB2B Q9BVA1 2/20 0.41
TUBB1 Q9H4B7 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL9869785 0.85 TUBB4A (0.45) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9869878 0.78 KDM4E (0.44) MAPTKDM4EALDH1A1HPGDRAB9A
SCHEMBL9870091 0.77 KDM4E (0.55) MAPTKDM4EALDH1A1HPGDRAB9A
SCHEMBL11009148 0.77 BACE1 (0.49) MAPTKDM4EALDH1A1HPGDKDR
SCHEMBL11009952 0.73 CYP2A6 (0.46) MAPTKDM4EALDH1A1KMT2AKDR
SCHEMBL9870239 0.71 KDM4E (0.43) MAPTKDM4EALDH1A1KMT2ALMNA
SCHEMBL9329531 0.71 PDE2A (0.37) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL14164494 0.69 PDE5A (0.46) MAPTKDM4EALDH1A1FYNRAB9A
SCHEMBL19668723 0.69 MAPT (0.47) MAPTALDH1A1TDP2FYNRAB9A
SCHEMBL28050431 0.69 LRRK2 (0.51) MAPTKDM4EALDH1A1HPGDTDP2

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