SCHEMBL6541752

SCHEMBL6541752

c1ccc(CN(Cc2ccccc2)c2cccc3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
SIGMAR1 Q99720 4/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
NR3C1 P04150 7/20 0.43
PGR P06401 1/20 0.43
NR3C2 P08235 1/20 0.43
AR P10275 1/20 0.43
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.42
CFTR P13569 1/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2343211 0.89 TSHR (0.59) L3MBTL1SIGMAR1HTR1DHTR1BNR3C1
SCHEMBL9702212 0.88 L3MBTL1 (0.40) L3MBTL1SIGMAR1HTR1DHTR1BKMT2A
SCHEMBL9702215 0.88 L3MBTL1 (0.40) L3MBTL1SIGMAR1HTR1DHTR1BKMT2A
Hydrochloric Acid SCHEMBL3792219 0.88 TSHR (0.58) L3MBTL1SIGMAR1HTR1DHTR1BNR3C1
SCHEMBL12765200 0.81 ALDH1A1 (0.37) L3MBTL1SIGMAR1NR3C1KMT2ATSHR
SCHEMBL30966945 0.81 SIGMAR1 (0.50) L3MBTL1SIGMAR1HTR1DHTR1BKMT2A
SCHEMBL29283788 0.81 TSHR (0.48) NR3C1PGRNR3C2ARTSHR
SCHEMBL2865598 0.81 SIGMAR1 (0.50) L3MBTL1SIGMAR1HTR1DHTR1BKMT2A
SCHEMBL9463178 0.81 AOC3 (0.44) L3MBTL1SIGMAR1HTR1DHTR1BKMT2A
SCHEMBL7148219 0.80 TSHR (0.54) NR3C1PGRNR3C2ARTSHR

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-2004030029-A2 CONDUCTING POLYMER DEVICES FOR INTER-CONVERTING LIGHT AND ELECTRICITY RISØ NATIONAL LABORATORY (DK) 2004-04-08 WO disclosed