SCHEMBL17988955

SCHEMBL17988955

CC1(C)c2ccccc2-c2c1ccc1c2ccc2c3ccccc3n(-c3ccccn3)c12

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DUSP3 P51452 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP17A1 P05093 2/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ MAT2A P31153 2/20 0.31
▸ POLB P06746 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ S1PR4 O95977 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ XBP1 P17861 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ CCR6 P51684 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ MAPK14 Q16539 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
SCHEMBL17245728 0.94 DUSP3 (0.34) DUSP3ALDH1A1KDM4EGAACYP17A1
SCHEMBL17988982 0.88 DUSP3 (0.35) DUSP3
SCHEMBL17988946 0.86 KDM4E (0.32) ALDH1A1KDM4EGAACYP17A1CYP1A2
SCHEMBL15868852 0.83 CYP17A1 (0.33) ALDH1A1KDM4EGAACYP17A1CYP1A2
SCHEMBL17245832 0.83 ALDH1A1 (0.38) DUSP3ALDH1A1KDM4EGAACYP17A1
SCHEMBL17245643 0.82 DUSP3 (0.37) DUSP3ALDH1A1KDM4EGAACYP17A1
SCHEMBL17245727 0.82 ALDH1A1 (0.34) ALDH1A1KDM4EGAACYP17A1CYP1A2
SCHEMBL17989074 0.82 HTR3A (0.33) DUSP3
SCHEMBL17988936 0.82 MAT2A (0.33) ALDH1A1KDM4EGAAMAT2AMEN1
SCHEMBL17988952 0.82 MAT2A (0.33) DUSP3ALDH1A1KDM4EGAAMAT2A

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
US-20160225992-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-08-04 — — US disclosed
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