SCHEMBL7399803

SCHEMBL7399803

O=C(C(c1ccccc1)(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1.c1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DCUN1D1 Q96GG9 2/20 0.36
DCUN1D2 Q6PH85 1/20 0.36
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KCNN4 O15554 1/20 0.32
BCAT2 O15382 1/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
ALDH1A1 P00352 2/20 0.30
HNF4A P41235 1/20 0.30
KDM4E B2RXH2 2/20 0.30
POLB P06746 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ADORA2A P29274 1/20 0.30

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
SCHEMBL3397570 0.83 DCUN1D1 (0.47) DCUN1D1DCUN1D2LMNAALDH1A1ADORA2A
SCHEMBL29499607 0.83 DCUN1D1 (0.47) DCUN1D1DCUN1D2LMNAALDH1A1ADORA2A
SCHEMBL29034386 0.80 DCUN1D1 (0.45) DCUN1D1DCUN1D2LMNAALDH1A1ADORA2A
SCHEMBL5485083 0.78 NPC1 (0.44) ALDH1A1KDM4EKMT2A
SCHEMBL6957790 0.75 DCUN1D1 (0.34) DCUN1D1DCUN1D2
SCHEMBL12615990 0.74 ALDH1A1 (0.38) DCUN1D1DCUN1D2L3MBTL1ALDH1A1MEN1
SCHEMBL4436864 0.74 MKNK1 (0.47) LMNAL3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL9155822 0.74 ABL1 (0.47) DCUN1D1DCUN1D2MEN1KMT2A
SCHEMBL6958012 0.74 TSHR (0.35) DCUN1D1DCUN1D2
SCHEMBL6849542 0.73 HNF4A (0.42) DCUN1D1DCUN1D2HDAC2HDAC8HDAC6

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
EP-0531382-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-03-17 EP disclosed
WO-1991018888-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-12 WO disclosed