SCHEMBL5401951

SCHEMBL5401951

CN(C)c1ccc([Si](C)(C)C)cc1.CN(C)c1ccccc1-c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NOX1 Q9Y5S8 1/20 0.40
KDM1A O60341 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
S100A4 P26447 1/20 0.38
CNR2 P34972 2/20 0.37
ALOX5 P09917 1/20 0.37
SIGMAR1 Q99720 2/20 0.37
MCL1 Q07820 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 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
SCHEMBL5223360 0.83 SIGMAR1 (0.50) KDM4EMAPTALDH1A1GAATDP1
SCHEMBL13995111 0.73 DHFR (0.35) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL12368327 0.73 KDM4E (0.33) KDM4EMAPTALDH1A1RAB9ATDP1
SCHEMBL13062850 0.73 ENPP1 (0.57) KDM4EMAPTALDH1A1RAB9ATDP1
SCHEMBL12249595 0.73 ENPP3 (0.49) KDM4EMAPTALDH1A1GAAMEN1
SCHEMBL727378 0.72 ALDH1A1 (0.61) KDM4EMAPTALDH1A1MEN1RAB9A
SCHEMBL2454186 0.72 ENPP1 (0.55) KDM4EMAPTALDH1A1RAB9ATDP1
SCHEMBL29901595 0.72 ENPP1 (0.55) KDM4EMAPTALDH1A1RAB9ATDP1
SCHEMBL24203467 0.71 ENPP1 (0.46) KDM4EMAPTALDH1A1TDP1L3MBTL1
SCHEMBL24203466 0.71 ENPP1 (0.46) KDM4EMAPTALDH1A1TDP1L3MBTL1

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-7220695-B2 Supported activator EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-22 US claimed