SCHEMBL9748491

SCHEMBL9748491

c1ccc(N(c2ccccc2)c2ccccc2C(c2ccccc2N(c2ccccc2)c2ccccc2)c2ccccc2N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CRHBP P24387 1/20 0.33
ATM Q13315 1/20 0.33
CRHR2 Q13324 1/20 0.33
TLR9 Q9NR96 1/20 0.33
APP P05067 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 2/20 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
SCHEMBL949996 0.82 ALDH1A1 (0.37) ALDH1A1TDP1L3MBTL1KDM4ECYP1A2
SCHEMBL21913733 0.82 GABRA1 (0.41) ALDH1A1TDP1L3MBTL1KDM4ECYP1A2
SCHEMBL29673955 0.79 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1KDM4ECYP1A2
Benzene SCHEMBL28236695 0.79 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1KDM4ECYP1A2
SCHEMBL329168 0.79 ALDH1A1 (0.50) ALDH1A1TDP1L3MBTL1KDM4ECYP1A2
SCHEMBL10799998 0.77 PTPN1 (0.38) ALDH1A1MEN1KMT2ATLR9NPSR1
SCHEMBL5809269 0.77 TSHR (0.52) ALDH1A1TDP1L3MBTL1KDM4ECYP1A2
SCHEMBL1876222 0.76 ALDH1A1 (0.48) ALDH1A1TDP1L3MBTL1KDM4ECYP1A2
SCHEMBL18287371 0.76 ALDH1A1 (0.48) ALDH1A1TDP1L3MBTL1KDM4ECYP1A2
SCHEMBL8936346 0.76 CYP1A2 (0.36) ALDH1A1TDP1L3MBTL1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5105233-A SEMICONDUCTOR LUMINESCENT DEVICE HAVING ORGANIC/INORGANIC JUNCTION KABUSHIKI KAISHA TOSHIBA (JP) 1992-04-14 US disclosed
EP-0448268-A2 Semiconductor luminescent device having organic/inorganic junction KABUSHIKI KAISHA TOSHIBA (JP) 1991-09-25 EP disclosed