SCHEMBL16795035

SCHEMBL16795035

Cc1c(-c2cccc(-c3ncco3)c2)c2[nH]c3ccccc3c2[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.42
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 0.38
TUBB6 Q9BUF5 2/20 0.38
TUBB2B Q9BVA1 2/20 0.38
TUBB1 Q9H4B7 2/20 0.38
TDO2 P48775 7/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GABRP O00591 1/20 0.37

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
SCHEMBL16814275 0.83 NQO2 (0.38) NQO2TDO2KDM4EMEN1GABRP
SCHEMBL16794885 0.80 HPGD (0.42) NQO2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16814487 0.80 NQO2 (0.38) NQO2TDO2CYP1A2BRD4MAPK14
SCHEMBL16814348 0.80 MDM2 (0.39) NQO2TDO2KDM4EMEN1GABRP
SCHEMBL16794852 0.79 NQO2 (0.38) NQO2TDO2KDM4EMEN1GABRP
SCHEMBL16795016 0.77 PARP1 (0.39) NQO2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16794896 0.75 NPSR1 (0.38) NQO2KDM4EALDH1A1NPSR1MAPK14
SCHEMBL16814244 0.75 NQO2 (0.36) NQO2KDM4EALDH1A1CYP1A2NPSR1
SCHEMBL16814364 0.75 SERPINE1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL16814570 0.75 CYP11B1 (0.57) NQO2TDO2KDM4EMEN1ALDH1A1

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
WO-2015088564-A1 P2X4 RECEPTOR MODULATING COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed
WO-2015088564-A1 P2X4 RECEPTOR MODULATING COMPOUNDS SUNOVION PHARMACEUTICALS INC. (US) 2015-06-18 WO disclosed