SCHEMBL9708609

SCHEMBL9708609

CC(C)c1nc2c(c(=O)n(CCc3ccccc3)c(=O)n2C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ MAPT P10636 6/20 0.43
▸ LMNA P02545 5/20 0.43
▸ NPSR1 Q6W5P4 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ BRAF P15056 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ MCOLN3 Q8TDD5 1/20 0.41
▸ HTT P42858 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ TP53 P04637 3/20 0.40
▸ MEN1 O00255 2/20 0.40

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
SCHEMBL9708556 0.95 ADORA3 (0.42) POLBHIF1AMAPTNPSR1CRHBP
SCHEMBL9707902 0.94 HPGD (0.43) MAPTLMNANPSR1ALDH1A1MAPK1
SCHEMBL9708001 0.92 ADORA3 (0.47) ADORA3ADORA2B
SCHEMBL9707502 0.92 ADORA1 (0.42) MAPTNPSR1CRHBPCRHR2MCOLN3
SCHEMBL9707601 0.92 ADORA3 (0.47) ADORA3ADORA2B
SCHEMBL9708648 0.92 ADORA1 (0.42) MAPTRAB9ABRAFPIK3CGADORA3
SCHEMBL9707898 0.91 MAPT (0.38) POLBHIF1AMAPTNPSR1CRHBP
SCHEMBL9707843 0.91 ADORA1 (0.42) MAPTNPSR1CRHBPCRHR2MCOLN3
SCHEMBL9708010 0.91 MAPT (0.41) POLBMAPTRAB9ABRAFPIK3CG
SCHEMBL9707347 0.90 RAB9A (0.44) MAPTLMNANPSR1MAPK1RAB9A

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 1 patent. 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 disclosed
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