SCHEMBL8949096

SCHEMBL8949096

N#Cc1ccc(-c2ncc(C(=O)O)c(Cl)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
CRHBP P24387 2/20 0.46
CRHR2 Q13324 2/20 0.46
EGLN1 Q9GZT9 1/20 0.44
HPGD P15428 3/20 0.43
SLC22A12 Q96S37 1/20 0.43
MAP4K4 O95819 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CASP1 P29466 1/20 0.43
PARP1 P09874 2/20 0.42
PARP2 Q9UGN5 1/20 0.42
XDH P47989 3/20 0.42
EIF4E P06730 1/20 0.41
GAA P10253 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
SCHEMBL8949225 0.89 CASP1 (0.43) MEN1KMT2ACRHBPCRHR2EGLN1
SCHEMBL3540633 0.83 MEN1 (0.62) MEN1KMT2ACRHBPCRHR2HPGD
SCHEMBL8085536 0.82 MEN1 (0.63) MEN1KMT2ACRHBPCRHR2HPGD
SCHEMBL27576873 0.79 MEN1 (0.53) MEN1KMT2ACRHBPCRHR2HPGD
SCHEMBL9650514 0.74 SMN1; SMN2 (0.46) MEN1KMT2ASLC22A12KDM4ENPC1
SCHEMBL9650630 0.73 BRS3 (0.40) MEN1KMT2AEGLN1SLC22A12MAP4K4
SCHEMBL9650800 0.72 ALDH1A1 (0.45) MEN1KMT2AKDM4ENPC1ALDH1A1
SCHEMBL2116125 0.71 LMNA (0.43) MEN1KMT2AHPGDALDH1A1CASP1
SCHEMBL22573742 0.70 MEN1 (0.48) MEN1KMT2ACRHBPCRHR2HPGD
SCHEMBL5937360 0.70 LDHA (0.65) EGLN1SLC22A12MAP4K4NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed