SCHEMBL11544019

SCHEMBL11544019

COc1ccccc1Oc1cccnc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPK1 P28482 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA4 P22748 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
DHPS P49366 3/20 0.47
NFE2L2 Q16236 2/20 0.47
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
HTR1A P08908 1/20 0.46
PLAU P00749 1/20 0.45
NPC1 O15118 2/20 0.44
POLB P06746 3/20 0.43

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
SCHEMBL29695082 0.86
SCHEMBL1445568 0.86
SCHEMBL16586557 0.86 LMNA (0.43) ALDH1A1NFE2L2NPC1POLBRAB9A
SCHEMBL11543918 0.81 SLC6A2 (0.47) HTTALDH1A1SLC6A2SLC6A4SLC6A3
Cyanide SCHEMBL28048133 0.81 NFE2L2 (0.46) L3MBTL1ALDH1A1CA12CA1CA2
SCHEMBL1415473 0.80 ALDH1A1 (0.49) L3MBTL1HTTALDH1A1MAPK1NFE2L2
SCHEMBL20406217 0.78 POLB (0.50) L3MBTL1ALDH1A1CA12CA1CA2
SCHEMBL5317392 0.78 GAA (0.50) L3MBTL1HTTALDH1A1CA1CA2
SCHEMBL11543904 0.78 KDM4E (0.53) ALDH1A1NFE2L2SLC6A2SLC6A4SLC6A3
SCHEMBL27255595 0.77 HTT (0.47) L3MBTL1HTTALDH1A1MAPK1CA12

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-4179506-A TREATMENT OF SENILITY, REVERSAL OF AMNESIA WARNER-LAMBERT COMPANY (US) 1979-12-18 US disclosed