SCHEMBL11544969

SCHEMBL11544969

COc1ccccc1Oc1ccc(Cl)nc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPK1 P28482 1/20 0.60
HTT P42858 1/20 0.60
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA4 P22748 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
PIN1 Q13526 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TTBK1 Q5TCY1 1/20 0.42
TTBK2 Q6IQ55 1/20 0.42
DHPS P49366 1/20 0.42
POLB P06746 1/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40

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
SCHEMBL11547272 0.82 ALDH1A1 (0.47) L3MBTL1ALDH1A1HTTKMT2ATTBK1
SCHEMBL5316194 0.82 SLC6A2 (0.47) ALDH1A1MAPK1MEN1KMT2APOLB
SCHEMBL5318993 0.81 ACHE (0.50) L3MBTL1ALDH1A1MAPK1MEN1KMT2A
SCHEMBL11547858 0.79 KCNQ3 (0.48) ALDH1A1PIN1MEN1KMT2AKCNQ3
SCHEMBL29417993 0.77
SCHEMBL942143 0.77
SCHEMBL3627857 0.77 HTT (1.00) L3MBTL1ALDH1A1MAPK1HTTCA12
SCHEMBL6630091 0.76 CTNNB1 (0.59) L3MBTL1HTTMEN1KMT2AKCNQ3
SCHEMBL11544017 0.76 KCNQ3 (0.56) MEN1KMT2AKCNQ3KCNQ2KCNE1
SCHEMBL4314680 0.76 HTT (0.79) L3MBTL1ALDH1A1MAPK1HTTCA12

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