SCHEMBL9412557

SCHEMBL9412557

COC(=O)C(C)CNC(=O)c1ccc2c(c1)nc(CCC1CCNCC1)n2C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ HDAC6 Q9UBN7 6/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ ACSS2 Q9NR19 1/20 0.39
▸ ITGB3 P05106 2/20 0.38
▸ ITGA2B P08514 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL9412623 0.84 MAPT (0.46) MAPTBRD4HDAC6NPC1RAB9A
SCHEMBL9412612 0.83 ITGB3 (0.42) MAPTBRD4HDAC6NPC1RAB9A
SCHEMBL9412511 0.83 MAPT (0.45) MAPTBRD4NPC1RAB9ASMN1; SMN2
SCHEMBL9188544 0.82 ITGB3 (0.57) MAPTPOLBITGB3ITGA2B
Bromide SCHEMBL9412462 0.81 ITGB3 (0.56) MAPTPOLBITGB3ITGA2B
SCHEMBL9412665 0.79 MAPT (0.45) MAPTBRD4HDAC6NPC1RAB9A
SCHEMBL9412452 0.79 MAPT (0.44) MAPTBRD4HDAC6NPC1RAB9A
SCHEMBL9412727 0.78 POLB (0.46) MAPTHDAC6NPC1RAB9ASMN1; SMN2
SCHEMBL9412536 0.77 ITGB3 (0.46) MAPTSMN1; SMN2POLBACSS2ITGB3
SCHEMBL9412706 0.76 CNR2 (0.39) BRD4HDAC6NPC1RAB9ASMN1; SMN2

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
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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