SCHEMBL19016950

SCHEMBL19016950

Cc1ccc2c(c1)C(C)(C)c1cc(-c3nc(-c4ccccc4)nc4c3CCC=C4)ccc1-2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ PGR P06401 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 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
SCHEMBL22227358 0.78 THRB (0.33) MAPT
SCHEMBL12133792 0.77 L3MBTL1 (0.44) ALDH1A1L3MBTL1KDM4ENPC1TP53
SCHEMBL18698090 0.77 HTR2A (0.41) DPP4ALDH1A1L3MBTL1MAPTADORA3
SCHEMBL19743182 0.76 L3MBTL1 (0.43) ALDH1A1L3MBTL1KDM4ENPC1TP53
SCHEMBL19743185 0.76 L3MBTL1 (0.43) ALDH1A1L3MBTL1KDM4ENPC1TP53
SCHEMBL19743184 0.75 MEN1 (0.49) ALDH1A1L3MBTL1KDM4ENPC1TP53
SCHEMBL17470428 0.74 L3MBTL1 (0.53) ALDH1A1L3MBTL1KDM4ENPC1TP53
SCHEMBL19743181 0.73 MEN1 (0.50) ALDH1A1L3MBTL1KDM4ENPC1TP53
SCHEMBL19193855 0.72 ALDH1A1 (0.49) ALDH1A1L3MBTL1KDM4ENPC1TP53
SCHEMBL19037217 0.71 MEN1 (0.41) ALDH1A1L3MBTL1KDM4ENPC1TP53

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-2017104994-A1 COMPOSITION FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2017-06-22 — — WO disclosed
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