SCHEMBL9725455

SCHEMBL9725455

COc1ccc(CNc2ccc(C(=O)c3ccccc3)cc2N)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 9/20 0.57
HDAC1 Q13547 3/20 0.55
HDAC3 O15379 1/20 0.50
HDAC2 Q92769 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
NCF1 P14598 1/20 0.50
ACHE P22303 1/20 0.50
NPC1 O15118 2/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
RAB9A P51151 1/20 0.48
HIF1A Q16665 1/20 0.48
PPARA Q07869 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ASPH Q12797 1/20 0.46
RIOX2 Q8IUF8 1/20 0.46
KDM8 Q8N371 1/20 0.46

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
SCHEMBL11232162 0.87 VNN1 (0.52) VNN1HDAC1HDAC3HDAC2NCOR2
SCHEMBL12004538 0.85 GAA (0.54) VNN1HDAC1HDAC3HDAC2NCOR2
SCHEMBL11890771 0.85 HDAC1 (0.53) VNN1HDAC1HDAC3HDAC2NCOR2
SCHEMBL12061580 0.83 HDAC1 (0.51) VNN1HDAC1HDAC3HDAC2NCOR2
SCHEMBL9725390 0.82 MAPT (0.56) VNN1NPC1MEN1ALDH1A1KMT2A
SCHEMBL11754772 0.80 KDM4E (0.49) VNN1HDAC1HDAC3HDAC2NCOR2
SCHEMBL15687652 0.80 CA1 (0.61) HDAC1ALDH1A1HIF1AKDM4E
SCHEMBL12044040 0.78 ALDH1A1 (0.69) VNN1MEN1ALDH1A1KMT2ARAB9A
Bicarbonate SCHEMBL8979728 0.78 HDAC1 (0.62) HDAC1HDAC3HDAC2NCOR2NCF1
SCHEMBL23619201 0.77 PTGER4 (0.49) HDAC1HDAC3HDAC2NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed
CN-1060837-A BENZIMIDAZOLINONE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 1992-05-06 CN disclosed
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 EP disclosed