SCHEMBL18361806

SCHEMBL18361806

CC(C)(CCCn1ccc2c(Oc3cc(C#N)ncn3)cccc21)[Si](C)(C)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 7/20 0.39
▸ MCL1 Q07820 4/20 0.35
▸ PPARA Q07869 4/20 0.33
▸ PPARG P37231 4/20 0.32
▸ BCL2 P10415 2/20 0.32
▸ PPARD Q03181 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KDR P35968 1/20 0.31
▸ BAD Q92934 1/20 0.30
▸ RHEB Q15382 1/20 0.30

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
SCHEMBL18361808 0.83 LOXL2 (0.45) LOXL2MCL1PPARAPPARGMAPT
SCHEMBL20337854 0.82 LOXL2 (0.39) LOXL2MCL1PPARAPPARGLMNA
SCHEMBL18361832 0.81 LOXL2 (0.44) LOXL2MAPTKDRRHEB
SCHEMBL18362071 0.79 LOXL2 (0.52) LOXL2MCL1PPARAPPARGPPARD
SCHEMBL18362172 0.79 LOXL2 (0.42) LOXL2MCL1BCL2MAPTKDR
SCHEMBL18361805 0.78 PPARG (0.44) MCL1PPARAPPARGBCL2PPARD
SCHEMBL20337881 0.73 ALDH1A1 (0.49) LOXL2PPARAPPARGLMNA
SCHEMBL18362016 0.72 LOXL2 (0.73) LOXL2LMNATSHR
SCHEMBL18361811 0.71 HTR2C (0.53) MCL1PPARABAD
SCHEMBL18361841 0.69 LOXL2 (0.68) LOXL2KDRRHEB

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
WO-2017003862-A1 LYSYL OXIDASE-LIKE 2 INHIBITORS AND USES THEREOF PHARMAKEA, INC. (US) 2017-01-05 — — WO disclosed
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