SCHEMBL807467

SCHEMBL807467

CC1(C)c2ccc(N)cc2C(C)(C)c2ccc(N)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CASP1 P29466 3/20 0.39
CYP3A4 P08684 5/20 0.36
TSHR P16473 2/20 0.36
PDE10A Q9Y233 1/20 0.36
MEN1 O00255 4/20 0.35
MAPT P10636 4/20 0.35
KMT2A Q03164 4/20 0.35
RECQL P46063 2/20 0.35
PDK2 Q15119 2/20 0.34
BACE1 P56817 2/20 0.34
TDP1 Q9NUW8 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
ACHE P22303 1/20 0.33
HSD17B10 Q99714 1/20 0.33
APAF1 O14727 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CA9 Q16790 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL14439097 1.00 ALDH1A1 (0.40) ALDH1A1CASP1CYP3A4TSHRPDE10A
SCHEMBL28206824 0.93 PDK2 (0.43) ALDH1A1CASP1CYP3A4TSHRMEN1
SCHEMBL17528668 0.84 PDK2 (0.42) ALDH1A1CASP1CYP3A4TSHRPDE10A
SCHEMBL29479852 0.82 PDK2 (0.44) ALDH1A1CASP1CYP3A4TSHRPDE10A
SCHEMBL349824 0.82 PDK2 (0.44) ALDH1A1CASP1CYP3A4TSHRPDE10A
SCHEMBL30340812 0.82 PDK2 (0.44) ALDH1A1CASP1CYP3A4TSHRPDE10A
SCHEMBL23546585 0.81 PDK2 (0.42) ALDH1A1CASP1CYP3A4TSHRPDE10A
SCHEMBL14073332 0.80 PDK2 (0.43) ALDH1A1CASP1CYP3A4TSHRPDE10A
SCHEMBL15307661 0.78 MAPT (0.45) ALDH1A1CASP1CYP3A4MEN1MAPT
SCHEMBL807460 0.77 SMN1; SMN2 (0.38) ALDH1A1CASP1CYP3A4TSHRPDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616493-B1 POLYMERISATION METHOD UNIV COURT UNIV OF EDINBURGH (GB) 2020-07-01 EP disclosed
US-9018270-B2 Method for producing polymers comprising multiple repeat units of bicyclic diamines UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2015-04-28 US disclosed
US-9018270-B2 Method for producing polymers comprising multiple repeat units of bicyclic diamines UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2015-04-28 US disclosed
US-20130267616-A1 Polymerisation Method UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2013-10-10 US disclosed
US-20130267616-A1 Polymerisation Method UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2013-10-10 US disclosed
WO-2012035327-A1 POLYMERISATION METHOD UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2012-03-22 WO disclosed