SCHEMBL27624772

SCHEMBL27624772

CC(=O)Oc1ccc2[nH]c(-c3ccc(Cl)s3)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 9/20 0.41
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ CA2 P00918 3/20 0.40
▸ PDGFRB P09619 1/20 0.39
▸ FGFR1 P11362 1/20 0.39
▸ PDGFRA P16234 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ AMY1A P0DUB6 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
SCHEMBL4687144 0.92 F10 (0.40) F10KDM4ENPC1ALDH1A1TP53
SCHEMBL27605913 0.85 CA2 (0.46) F10CA2PDGFRBPDGFRAKDM4E
SCHEMBL8346713 0.81 F10 (0.47) F10PDE3BPDE3ACA2KDM4E
SCHEMBL27606049 0.80 F10 (0.40) F10KDM4ENPC1ALDH1A1TP53
SCHEMBL8346380 0.79 GAA (0.50) F10PDE3BPDE3AKDM4ENPC1
SCHEMBL3863014 0.78 CSNK2A2 (0.49) F10KDM4ENPC1ALDH1A1HPGD
SCHEMBL27491775 0.76 ALDH1A1 (0.53) PDE3BPDE3APDGFRBFGFR1PDGFRA
SCHEMBL8346424 0.76 SIRT2 (0.55) KDM4ENPC1ALDH1A1TP53HPGD
SCHEMBL3861744 0.75 F10 (0.47) F10KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8347891 0.74 L3MBTL1 (0.47) F10NPC1NFKB1RAB9ANFKB2

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
CN-1674893-A Benzimidazole derivatives MERCK PATENT GMBH (DE) 2005-09-28 — — CN disclosed
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