SCHEMBL11382452

SCHEMBL11382452

CCOc1ccc(CC(=O)N2CC2C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.46
▸ DPP4 P27487 2/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ FAP Q12884 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ DPP7 Q9UHL4 1/20 0.40
▸ ACACB O00763 2/20 0.39
▸ MLNR O43193 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL5743909 0.72 ALDH1A1 (0.70) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL5743912 0.72 ALDH1A1 (0.70) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL19059444 0.72 SMN1; SMN2 (0.62) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL11369577 0.71 HTT (0.50) MAPTDPP4ALDH1A1HPGDLMNA
SCHEMBL16825790 0.70 KDM4E (0.45) MAPTALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL2628188 0.68 POLB (0.59) MAPTALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL503308 0.68 PLA2G4B (0.58) MAPTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL11376413 0.68 PREP (0.59) MAPTDPP4ALDH1A1HPGDLMNA
SCHEMBL10725638 0.67 PARP10 (0.53) MAPTALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL11197112 0.67 ALDH1A1 (0.41) MAPTDPP4ALDH1A1SMN1; SMN2KDM4E

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
US-4267174-A AND PROCESS FOR ADMINISTERING BOEHRINGER MANNHEIM, GMBH (DE) 1981-05-12 — — US disclosed
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