SCHEMBL9529505

SCHEMBL9529505

NCCOc1ccc2[nH]c(Cc3ccc(Cl)cc3)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.48
LTA4H P09960 2/20 0.42
SIRT1 Q96EB6 1/20 0.40
F2 P00734 2/20 0.40
MAOB P27338 6/20 0.39
MAOA P21397 2/20 0.39
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6993755 0.81 LOXL2 (0.60) LOXL2SMN1; SMN2
SCHEMBL9534394 0.81 LOXL2 (0.40) LOXL2SIRT1F2MAOBMAOA
SCHEMBL6990842 0.81 MAOB (0.57) LOXL2F2MAOBMAOABCHE
SCHEMBL9529857 0.79 MEN1 (0.47) MAOBMAOASMN1; SMN2
SCHEMBL6826452 0.79 LOXL2 (0.64) LOXL2LTA4HSIRT1F2SMN1; SMN2
SCHEMBL6995621 0.78 F2 (0.55) LOXL2F2
SCHEMBL9531674 0.76 PDE10A (0.46) MAOBMAOASMN1; SMN2
SCHEMBL11428952 0.75 LTA4H (0.70) LTA4HMAOB
SCHEMBL9529663 0.74 PDE10A (0.51)
SCHEMBL9530334 0.74 MEN1 (0.49) LOXL2SIRT1F2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544821-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS. PFIZER (US) 1993-06-09 EP disclosed
WO-1992006088-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1992-04-16 WO disclosed