SCHEMBL11615692

SCHEMBL11615692

Cc1[nH]n(Cc2ccc(Cl)cc2)c(=O)c1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.58
GAA P10253 5/20 0.58
LMNA P02545 4/20 0.58
HTT P42858 7/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
NOD2 Q9HC29 1/20 0.49
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
NPC1 O15118 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
TP53 P04637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DCTPP1 Q9H773 1/20 0.45

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
SCHEMBL11615177 0.87 SLC11A2 (0.49) MAPTGAALMNAHTTMEN1
SCHEMBL11616065 0.87 MAPT (0.61) MAPTGAALMNAHTTMEN1
SCHEMBL11611915 0.86 MAPT (0.48) MAPTGAALMNAHTTMEN1
SCHEMBL11613777 0.84 DCTPP1 (0.51) MAPTGAALMNAHTTMEN1
SCHEMBL11615937 0.81 GAA (0.43) MAPTGAALMNAHTTMEN1
SCHEMBL11616871 0.79 GAA (0.44) MAPTGAALMNAHTTMEN1
SCHEMBL11616904 0.79 NOX4 (0.42) MAPTGAALMNAHTTMEN1
SCHEMBL23401671 0.79 GAA (0.58) MAPTGAALMNAHTTMEN1
SCHEMBL23398804 0.76 GAA (0.55) MAPTGAALMNAHTTMEN1
SCHEMBL23402393 0.75 GAA (0.54) MAPTGAALMNAHTTMEN1

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-4117145-A DIURETIC, HYPOTENSIVE, ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 US disclosed
US-4117143-A USED AS ANTITHROMBOTIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1978-09-26 US disclosed
US-4113957-A DIURETIC, SALURETIC, HYPOTENSIVE, ANTITHROMBOTIC BAYER AKTIENGESELLSCHAFT (DE) 1978-09-12 US disclosed