SCHEMBL11037212

SCHEMBL11037212

COc1ccc2c(c1)n1c(C3CC3)nnc1c(=O)n2C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD1 P21728 2/20 0.39
▸ DRD5 P21918 2/20 0.39
▸ EGFR P00533 1/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ BLM P54132 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ ADORA1 P30542 1/20 0.36
▸ CASR P41180 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ NPBWR1 P48145 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
SCHEMBL11041485 0.78 BRD4 (0.44) EGFRMAPK1NPSR1POLBGRM2
SCHEMBL11040818 0.76 NPSR1 (0.46) NPSR1POLBBLMADORA1ALDH1A1
SCHEMBL11037216 0.76 GRIN2D (0.41) MAPK1NPSR1GRM2ALDH1A1MAPT
SCHEMBL11040857 0.75 DRD1 (0.41) DRD1DRD5EGFRPOLBGRM2
SCHEMBL10743293 0.72 MTNR1B (0.42) EGFRMAPK1NPSR1POLBGRM2
SCHEMBL4619699 0.66 BRD4 (0.66) POLBGRM2ALDH1A1MAPTSMN1; SMN2
SCHEMBL30293254 0.66 BRD4 (0.66) POLBGRM2ALDH1A1MAPTSMN1; SMN2
SCHEMBL26870466 0.63 PIK3CA (0.47) DRD1DRD5EGFRPOLBGRM2
SCHEMBL15043471 0.62 POLB (0.48) MAPK1POLBGRM2ALDH1A1MAPT
SCHEMBL26697997 0.62 PIK3CA (0.48) EGFRPOLBGRM2ALDH1A1MAPT

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-0040401-B1 TRIAZOLOQUINOXALIN-4-ONES AND SUCH OXALINE-4-THIONES USV PHARMACEUTICAL CORPORATION (US) 1984-03-21 — — EP disclosed
US-4354027-A HYPOTENSIVE AGENTS USV PHARMACEUTICAL CORPORATION (US) 1982-10-12 — — US disclosed
EP-0040401-A1 Triazoloquinoxalin-4-ones and such oxaline-4-thiones USV PHARMACEUTICAL CORPORATION (US) 1981-11-25 — — EP disclosed
Send feedback