SCHEMBL9707710

SCHEMBL9707710

C=CCn1c(=O)n(C)c(=O)c2c1nc(C(=C)CC)n2Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
POLB P06746 1/20 0.38
ADORA2B P29275 3/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL9708027 0.92 MAPT (0.42) MAPTPOLBADORA2BHPGDSMN1; SMN2
SCHEMBL9707971 0.92 HPGD (0.38) HPGDSMN1; SMN2LMNA
SCHEMBL9707888 0.87 ADORA3 (0.41) ADORA2B
SCHEMBL9708593 0.86 AGTR2 (0.43) MAPTPOLB
SCHEMBL9707689 0.85 TRPC5 (0.45) MAPTALDH1A1
SCHEMBL9707348 0.85 AGTR1 (0.47)
SCHEMBL9708061 0.84 AGTR1 (0.45)
SCHEMBL9707771 0.82 ALDH1A1 (0.45) MAPTPOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL9708551 0.82 KMT2A (0.43) MAPTPOLBADORA2BHPGDSMN1; SMN2
SCHEMBL9707907 0.82 GPR18 (0.37) HPGD

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-1992007852-A1 BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO claimed
WO-1992007852-A1 BIPHENYLALKYL XANTHINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO disclosed