SCHEMBL9613037

SCHEMBL9613037

Cc1ccc(-c2cccc3c(-c4c5ccccc5c(-c5cccc(-c6ccncc6)c5)c5ccccc45)cccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.46
MAPT P10636 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
IMPDH2 P12268 1/20 0.42
KDR P35968 1/20 0.39
PRKCI P41743 1/20 0.39
KIF11 P52732 1/20 0.39
NOTUM Q6P988 1/20 0.38
TNF P01375 1/20 0.38
CYP17A1 P05093 1/20 0.38
CYP1A2 P05177 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
IKBKE Q14164 1/20 0.37
TBK1 Q9UHD2 1/20 0.37

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
SCHEMBL10017072 0.89 MAPT (0.42) PIK3CAMAPTNPSR1KDM4EMEN1
SCHEMBL9613015 0.87 PIK3CA (0.51) PIK3CAMAPTNPSR1KDM4EMEN1
SCHEMBL10017212 0.84 IMPDH2 (0.42) MAPTNPSR1KDM4EMEN1ALDH1A1
SCHEMBL9613170 0.82 KDM4E (0.49) PIK3CAMAPTKDM4EALDH1A1LMNA
SCHEMBL10030071 0.82 MAPT (0.48) PIK3CAMAPTNPSR1KDM4EMEN1
SCHEMBL10017201 0.82 MAPT (0.46) PIK3CAMAPTNPSR1KDM4EMEN1
SCHEMBL21250832 0.82 NOTUM (0.50) PIK3CAMAPTNPSR1KDM4EMEN1
SCHEMBL10030090 0.82 NOTUM (0.52) PIK3CAMAPTLMNAIMPDH2PRKCI
SCHEMBL10032542 0.82 MAPK14 (0.46) PIK3CAMAPTNPSR1KDM4EMEN1
SCHEMBL10032489 0.82 MAPK14 (0.46) PIK3CAMAPTNPSR1KDM4EMEN1

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-2012070535-A1 ELECTRON TRANSPORT MATERIAL, AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME JNC株式会社 (JP) 2012-05-31 WO disclosed