SCHEMBL10551972

SCHEMBL10551972

CCOC(=O)CCc1nc2cc3c(cc2[nH]1)[nH]c(=O)n3C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.56
▸ KMT2A Q03164 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4E B2RXH2 5/20 0.42
▸ LMNA P02545 5/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ PDE3B Q13370 2/20 0.41
▸ PDE3A Q14432 2/20 0.41
▸ P2RY12 Q9H244 2/20 0.41
▸ PRKAG1 P54619 1/20 0.40
▸ PRKAA2 P54646 1/20 0.40
▸ PRKAA1 Q13131 1/20 0.40
▸ PRKAB1 Q9Y478 1/20 0.40
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PDE2A O00408 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ APEX1 P27695 1/20 0.36

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
SCHEMBL10719101 0.85 PRKAG1 (0.56) MAPTKMT2AALDH1A1KDM4ELMNA
SCHEMBL10555809 0.82 KMT2A (0.69) MAPTKMT2AKDM4ELMNAPDE3B
SCHEMBL10553318 0.78 KMT2A (0.56) MAPTKMT2AKDM4ELMNA
SCHEMBL10553724 0.76 MAPT (0.57) MAPTKMT2AALDH1A1KDM4ELMNA
SCHEMBL10553230 0.76 PDE1A (0.56) MAPTKMT2AALDH1A1LMNAPDE3B
SCHEMBL14925453 0.75 MAPT (0.72) MAPTKMT2AALDH1A1KDM4ELMNA
SCHEMBL10554501 0.72 KMT2A (0.46) MAPTKMT2AALDH1A1LMNAPDE3B
SCHEMBL10662900 0.72 MAPT (0.55) MAPTKMT2AALDH1A1KDM4ELMNA
SCHEMBL9677526 0.72 LMNA (0.54) MAPTKMT2AALDH1A1KDM4ELMNA
SCHEMBL14930156 0.72 MAPT (0.67) MAPTKMT2AALDH1A1KDM4ELMNA

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
US-4831032-A CARDIOVASCULAR DISORDERS, HYPOTENSIVE, ISOTROPIC AGENTS BOEHRINGER MANNHEIM GMBH (DE) 1989-05-16 — — US disclosed
EP-0207483-A2 Benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1987-01-07 — — EP disclosed
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