SCHEMBL7609672

SCHEMBL7609672

CC(=CC(=O)C=C(C)c1c[nH]c2ccccc12)c1c[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.67
GPR84 Q9NQS5 1/20 0.61
ALDH1A1 P00352 2/20 0.58
KMT2A Q03164 2/20 0.58
ATM Q13315 1/20 0.57
NR4A2 P43354 2/20 0.57
CREBBP Q92793 1/20 0.57
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 1/20 0.51
CTNNB1 P35222 2/20 0.50
WNT3A P56704 2/20 0.50
ADAM17 P78536 1/20 0.50
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SLC22A6 Q4U2R8 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
SCHEMBL50742 0.80 PBRM1 (1.00) PBRM1GPR84ALDH1A1KMT2AATM
SCHEMBL29531272 0.80 PBRM1 (1.00) PBRM1GPR84ALDH1A1KMT2AATM
SCHEMBL15577111 0.80 PBRM1 (0.67) PBRM1GPR84ALDH1A1KMT2AATM
SCHEMBL6156917 0.79 PBRM1 (0.61) PBRM1GPR84ALDH1A1KMT2AATM
SCHEMBL8700747 0.79 PBRM1 (0.52) PBRM1GPR84ALDH1A1KMT2AATM
Hydrochloric Acid SCHEMBL9481167 0.79 PBRM1 (0.96) PBRM1GPR84ALDH1A1KMT2AATM
SCHEMBL12215128 0.77 PBRM1 (0.73) PBRM1GPR84ALDH1A1KMT2AATM
SCHEMBL30353966 0.77 GPR84 (0.71) PBRM1GPR84ALDH1A1KMT2AATM
SCHEMBL72811 0.77 GPR84 (0.71) PBRM1GPR84ALDH1A1KMT2AATM
SCHEMBL27320955 0.77 PBRM1 (0.67) PBRM1GPR84ALDH1A1KMT2AATM

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
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed