SCHEMBL12924318

SCHEMBL12924318

CCc1ccc(-c2cc3c(s2)-c2ccc4c5c(ccc-3c25)-c2cc(-c3ccc(C(F)(F)F)cc3)sc2-4)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ IKBKB O14920 1/20 0.34
▸ ALPI P09923 1/20 0.34
▸ STK17B O94768 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ DRD2 P14416 1/20 0.33

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
SCHEMBL12924264 0.85 LMNA (0.39) KDM4EMEN1MAPTKMT2AIKBKB
SCHEMBL12924312 0.75 RARB (0.39) KDM4ETP53ESR1ESR2
SCHEMBL12924296 0.75 RARB (0.39) KDM4ETP53ESR1ESR2
SCHEMBL1687449 0.73 MAOB (0.57) MAOBAGXTKIF11HEXAHEXB
SCHEMBL12924307 0.72 ESR1 (0.42) KDM4EMAPTLMNAESR1ESR2
SCHEMBL12924253 0.72 ESR1 (0.42) MEN1MAPTKMT2AIKBKBESR1
SCHEMBL12924324 0.72 ESR1 (0.42) MEN1MAPTKMT2AIKBKBESR1
SCHEMBL12924298 0.72 ESR1 (0.42) KDM4EMAPTLMNAESR1ESR2
SCHEMBL91061 0.71 TAAR1 (0.54) KDM4EMAPTKMT2AMAOBTP53
SCHEMBL18723851 0.69 PPARA (0.45) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8294144-B2 Organic transistor YAMAMOTO CHEMICALS, INC. (JP) 2012-10-23 — — US disclosed
US-8294144-B2 Organic transistor YAMAMOTO CHEMICALS, INC. (JP) 2012-10-23 — — US disclosed
US-20110012098-A1 ORGANIC TRANSISTOR YAMAMOTO CHEMICALS, INC. (JP) 2011-01-20 — — US disclosed
US-20110012098-A1 ORGANIC TRANSISTOR YAMAMOTO CHEMICALS, INC. (JP) 2011-01-20 — — US disclosed
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