SCHEMBL21131902

SCHEMBL21131902

CC(C)(C)Oc1ccc(N(c2ccccc2)c2ccc(-c3ccc(N(c4ccccc4)c4ccc(C(C)(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
RAB9A P51151 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
KIF11 P52732 3/20 0.37
TP53 P04637 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP2D6 P10635 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2923156 0.87 KIF11 (0.47) MEN1KMT2ARAB9ANPSR1MAPT
SCHEMBL14653706 0.87 KIF11 (0.47) MEN1KMT2ARAB9ANPSR1MAPT
SCHEMBL12780875 0.87 KIF11 (0.47) MEN1KMT2ARAB9ANPSR1MAPT
SCHEMBL17780059 0.87 KIF11 (0.47) MEN1KMT2ARAB9ANPSR1MAPT
SCHEMBL6825704 0.87 KIF11 (0.47) MEN1KMT2ARAB9ANPSR1MAPT
SCHEMBL14447686 0.87 KIF11 (0.47) MEN1KMT2ARAB9ANPSR1MAPT
SCHEMBL12780902 0.87 KIF11 (0.47) MEN1KMT2ARAB9ANPSR1MAPT
SCHEMBL20386504 0.87 KIF11 (0.47) MEN1KMT2ARAB9ANPSR1MAPT
SCHEMBL12780882 0.87 KIF11 (0.47) MEN1KMT2ARAB9ANPSR1MAPT
SCHEMBL18327206 0.87 KIF11 (0.47) MEN1KMT2ARAB9ANPSR1MAPT

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
US-20190190027-A1 ACTIVE MATERIAL, ELECTRODE, AND POWER STORAGE ELEMENT RICOH COMPANY, LTD. (JP) 2019-06-20 US disclosed