SCHEMBL7667237

SCHEMBL7667237

Cc1ccc(-c2ccccc2)cc1Cn1c(C)n[nH]c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
PRMT5 O14744 1/20 0.39
TNKS2 Q9H2K2 1/20 0.37
BACE1 P56817 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CHEK1 O14757 5/20 0.36
PDE5A O76074 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE1C Q14123 1/20 0.36
PDE3A Q14432 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN1 Q05586 1/20 0.35

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
SCHEMBL7666649 0.86 CHEK1 (0.39) KDM4EPRMT5TNKS2BACE1CHEK1
SCHEMBL6776723 0.85 AGTR1 (0.43) KDM4EPRMT5TNKS2BACE1CHEK1
SCHEMBL7666760 0.83 ALDH1A1 (0.43) KDM4EPOLBPRMT5BACE1CHEK1
SCHEMBL7666815 0.77 HPGD (0.44) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL12692930 0.75 KDM4E (0.66) KDM4EPOLBSMN1; SMN2NPC1RAB9A
SCHEMBL7671424 0.75 CCNC (0.42) SMN1; SMN2CHEK1KMT2AGRIN1GRIN2B
SCHEMBL7667782 0.73 HPGD (0.43) HPGDLMNA
SCHEMBL6774478 0.71 HPGD (0.49) KDM4ESMN1; SMN2L3MBTL1HPGDLMNA
SCHEMBL7665242 0.71 HPGD (0.41) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL7671615 0.71 HPGD (0.41) KDM4ESMN1; SMN2HPGDLMNA

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-6489487-B1 AGRICULTURAL OR HORTICULTURAL FUNGICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-12-03 US disclosed
EP-1103548-A1 TRIAZOLONE DERIVATIVES, USE THEREOF, AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2001-05-30 EP disclosed