SCHEMBL12924417

SCHEMBL12924417

Cc1ccc(-c2sc(-c3ccc(C)cc3)c3c2-c2ccc4c5c(ccc-3c25)-c2c(-c3ccc(C)cc3)sc(-c3ccc(C)cc3)c2-4)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ XBP1 P17861 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ PTGS2 P35354 4/20 0.38
▸ ALOX5 P09917 3/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL12924385 0.91 ALOX5 (0.38) KDM4EMAPTLMNASMN1; SMN2XBP1
SCHEMBL20872065 0.81 KDM4E (0.52) KDM4EMAPTLMNASMN1; SMN2XBP1
SCHEMBL12924414 0.81 RAB9A (0.43) KDM4EMAPTLMNASMN1; SMN2PTGS2
SCHEMBL12924363 0.80 PTGS2 (0.34) KDM4EMAPTLMNASMN1; SMN2XBP1
SCHEMBL12924389 0.77 MAPT (0.38) KDM4EMAPTLMNAMAPK1PTGS2
SCHEMBL12924391 0.75 MAPT (0.40) KDM4EMAPTNPSR1ALOX5ALDH1A1
SCHEMBL12262883 0.74 ALOX5 (0.51) KDM4EMAPTLMNASMN1; SMN2XBP1
SCHEMBL15060522 0.74 KDM4E (0.47) KDM4EMAPTLMNASMN1; SMN2XBP1
SCHEMBL12924420 0.72 PDPK1 (0.47) KDM4EMAPTPTGS2ALOX5
SCHEMBL18748578 0.71 SMN1; SMN2 (0.41) KDM4EMAPTLMNASMN1; SMN2XBP1

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
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
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