SCHEMBL18627636

SCHEMBL18627636

Ic1cc(I)cc(N(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ TLR9 Q9NR96 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 2/20 0.31
▸ GLA P06280 1/20 0.31

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
SCHEMBL29446633 0.85 ALDH1A1 (0.39) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL31354848 0.83 ALDH1A1 (0.44) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL15750399 0.83 ALDH1A1 (0.44) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
Iodobenzene SCHEMBL28866619 0.81 ALDH1A1 (0.52) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL332348 0.81 ALDH1A1 (0.57) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL15595125 0.81 ALDH1A1 (0.57) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL28163442 0.81 ALDH1A1 (0.63) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL21422656 0.80 SLC6A2 (0.35) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL23988522 0.79 ALDH1A1 (0.56) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL4406615 0.79 ALDH1A1 (0.56) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2

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-10333074-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2019-06-25 — — US disclosed
US-20170077412-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-16 — — US disclosed
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