SCHEMBL791198

SCHEMBL791198

Cc1cc(C2(c3ccc(N)c(C)c3)C3CC4CC(C3)CC2C4)ccc1N

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.39
CYP3A4 P08684 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
TSHR P16473 2/20 0.39
CTSD P07339 4/20 0.36
BACE1 P56817 4/20 0.36
BACE2 Q9Y5Z0 4/20 0.36
REN P00797 1/20 0.36
HSD11B1 P28845 4/20 0.36
LMNA P02545 1/20 0.34
S100B P04271 1/20 0.33
SKP2 Q13309 1/20 0.32
GAA P10253 1/20 0.31
RAD52 P43351 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 1/20 0.31
RECQL P46063 1/20 0.31
HIF1A Q16665 1/20 0.31
MAPK1 P28482 1/20 0.30

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
SCHEMBL31030078 0.79 ESR1 (0.50) TDP1HSD11B1LMNAGAA
SCHEMBL1238135 0.79 ESR1 (0.50) TDP1HSD11B1LMNAGAA
SCHEMBL2710959 0.79 MEN1 (0.42) ALDH1A1CYP3A4HSD11B1LMNAGAA
SCHEMBL792713 0.77 ALDH1A1 (0.56) ALDH1A1CYP3A4TDP1TSHRCTSD
SCHEMBL4584573 0.77 KDM4E (0.43) ALDH1A1CTSDBACE1BACE2REN
Hydrochloric Acid SCHEMBL6098550 0.76 ALDH1A1 (0.55) ALDH1A1CYP3A4TDP1TSHRCTSD
SCHEMBL2710599 0.76 GAA (0.42) ALDH1A1TDP1HSD11B1LMNAGAA
SCHEMBL790026 0.74 ALOX5AP (0.45) ALDH1A1CYP3A4TDP1TSHRHSD11B1
SCHEMBL2709443 0.74 ALDH1A1 (0.55) ALDH1A1HSD11B1LMNA
SCHEMBL2047938 0.73 ACHE (0.44) HSD11B1GAA

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 9 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
CN-107913580-A A kind of application of polyimides in gas separation 中国科学院长春应用化学研究所 2018-04-17 CN 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-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
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