SCHEMBL11635855

SCHEMBL11635855

CC(C(=O)O)c1ccc2oc(Cc3ccc(Cl)c(Cl)c3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.55
ADRA1A P35348 1/20 0.55
MAPT P10636 5/20 0.44
AKR1C3 P42330 4/20 0.44
AKR1C2 P52895 4/20 0.44
POLB P06746 2/20 0.44
GAA P10253 1/20 0.44
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43
PSENEN Q9NZ42 1/20 0.43
APP P05067 1/20 0.43
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
STAT3 P40763 1/20 0.40
TSHR P16473 2/20 0.39
USP2 O75604 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
SCHEMBL11637702 0.89 MAOA (0.66) MAOAADRA1AMAPTAKR1C3AKR1C2
SCHEMBL11637743 0.87 MAPT (0.42) MAOAADRA1AMAPTPOLBGAA
SCHEMBL11638633 0.85 MAOA (0.54) MAOAADRA1AMAPTPOLBGAA
SCHEMBL11638582 0.84 MAOA (0.51) MAOAADRA1AMAPTAKR1C3AKR1C2
SCHEMBL11637527 0.84 MAOA (0.51) MAOAADRA1AMAPTAKR1C3AKR1C2
SCHEMBL11642466 0.83 MAOA (0.56) MAOAADRA1AMAPTAKR1C3AKR1C2
SCHEMBL11667804 0.82 MAOA (0.55) MAOAADRA1AMAPTAKR1C3AKR1C2
SCHEMBL11638535 0.81 MAPT (0.44) MAPTPOLBGAAKMT2AMEN1
SCHEMBL11638033 0.80 MAOA (0.54) MAOAADRA1AMAPTAKR1C3AKR1C2
SCHEMBL6782970 0.77 MAOA (0.56) MAOAADRA1AMAPTAKR1C3AKR1C2

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-4100168-A ANALGESICS, ANTIPYRETIC, ANTIINFLAMMATORY AGENTS LILLY INDUSTRIES LTD. (GB) 1978-07-11 US disclosed