SCHEMBL6238750

SCHEMBL6238750

COc1cc2[nH]c3ccccc3cc-2c(=O)c1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
KDM4E B2RXH2 3/20 0.60
RAB9A P51151 3/20 0.60
NPSR1 Q6W5P4 2/20 0.60
MEN1 O00255 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HPGD P15428 2/20 0.60
KMT2A Q03164 2/20 0.60
KDR P35968 2/20 0.53
CHEK1 O14757 1/20 0.53
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49
TUBB3 Q13509 1/20 0.49
TUBB2A Q13885 1/20 0.49
TUBB8 Q3ZCM7 1/20 0.49

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
SCHEMBL355568 0.82 RAB9A (0.59) MAPTSMN1; SMN2KDM4ERAB9ANPSR1
SCHEMBL11656533 0.76 RAB9A (0.62) MAPTSMN1; SMN2KDM4ERAB9ANPSR1
2-(2'-Methoxyphenyl)-1H-Indole SCHEMBL31053096 0.75 KDM4E (1.00) MAPTSMN1; SMN2KDM4ERAB9ANPSR1
2-(2'-Methoxyphenyl)-1H-Indole SCHEMBL5634916 0.75 KDM4E (1.00) MAPTSMN1; SMN2KDM4ERAB9ANPSR1
SCHEMBL3735562 0.74 KDR (0.55) MAPTSMN1; SMN2KDM4ERAB9ANPSR1
SCHEMBL1164958 0.73 KDR (0.58) MAPTSMN1; SMN2KDM4ERAB9ANPSR1
SCHEMBL1155579 0.72 KDR (0.59) MAPTSMN1; SMN2KDM4ERAB9ANPSR1
SCHEMBL7532104 0.72 KDM4E (0.65) MAPTSMN1; SMN2KDM4ERAB9ANPSR1
SCHEMBL31398830 0.72 BRD4 (0.59) MAPTSMN1; SMN2KDM4ERAB9ANPSR1
SCHEMBL250338 0.72 BRD4 (0.59) MAPTSMN1; SMN2KDM4ERAB9ANPSR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005023178-A2 ACRIDONE DERIVATIVES AS ANTI-HERPESVIRUS AGENTS UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2005-03-17 WO disclosed