SCHEMBL9412623

SCHEMBL9412623

COC(=O)CCNC(=O)c1ccc2c(c1)nc(CCC1CCNCC1)n2C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.46
▸ ITGB3 P05106 6/20 0.46
▸ ITGA2B P08514 6/20 0.46
▸ POLB P06746 1/20 0.44
▸ ITGA2 P17301 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ROCK2 O75116 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.41
▸ IDH1 O75874 1/20 0.41

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
SCHEMBL9412665 0.95 MAPT (0.45) MAPTITGB3ITGA2BPOLBITGA2
SCHEMBL9412511 0.95 MAPT (0.45) MAPTITGB3ITGA2BPOLBITGA2
SCHEMBL9412452 0.94 MAPT (0.44) MAPTITGB3ITGA2BPOLBITGA2
SCHEMBL9412536 0.93 ITGB3 (0.46) MAPTITGB3ITGA2BPOLBITGA2
SCHEMBL9188544 0.91 ITGB3 (0.57) MAPTITGB3ITGA2BPOLBITGA2
SCHEMBL9412583 0.90 MAPT (0.47) MAPTPOLBNPC1RAB9ASMN1; SMN2
Bromide SCHEMBL9412462 0.90 ITGB3 (0.56) MAPTITGB3ITGA2BPOLBITGA2
SCHEMBL9412612 0.90 ITGB3 (0.42) MAPTITGB3ITGA2BPOLBITGA2
SCHEMBL9412727 0.90 POLB (0.46) MAPTITGB3ITGA2BPOLBITGA2
SCHEMBL9412586 0.90 RORC (0.46) ITGB3ITGA2BITGA2ROCK2BRD4

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-0611660-A2 Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1994-08-24 — — EP claimed
EP-0611660-A2 Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1994-08-24 — — EP disclosed
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