SCHEMBL23487334

SCHEMBL23487334

Fc1ccccc1-c1nc(Cl)nc2c1ccc1ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.44
▸ MAPT P10636 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ CYP1A1 P04798 3/20 0.42
▸ CYP1A2 P05177 3/20 0.42
▸ CYP1B1 Q16678 3/20 0.42
▸ PRKDC P78527 1/20 0.39
▸ MBNL1 Q9NR56 1/20 0.38
▸ HPRT1 P00492 2/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MAOA P21397 1/20 0.36
▸ AHR P35869 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ APEX1 P27695 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ MPL P40238 1/20 0.34

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
SCHEMBL18132493 0.86 MAPT (0.45) MAPTL3MBTL1CYP1A2HPRT1NPC1
SCHEMBL19660797 0.79 ALDH1A1 (0.44) ADORA2AMAPTL3MBTL1CYP1A1CYP1A2
SCHEMBL18553282 0.78 KDM4E (0.43) MAPTL3MBTL1CYP1A1CYP1A2CYP1B1
SCHEMBL29464956 0.78 ALDH1A1 (0.52) ADORA2AMAPTL3MBTL1CYP1A1CYP1A2
SCHEMBL17367230 0.78 ALDH1A1 (0.52) ADORA2AMAPTL3MBTL1CYP1A1CYP1A2
SCHEMBL3772243 0.78 ADORA2A (0.66) ADORA2AMAPTL3MBTL1MBNL1NPC1
SCHEMBL19786648 0.76 L3MBTL1 (0.41) MAPTL3MBTL1CYP1A1CYP1A2CYP1B1
SCHEMBL18553591 0.75 ALOX5 (0.40) MAPTL3MBTL1CYP1A1CYP1A2CYP1B1
SCHEMBL18132501 0.75 KDM4E (0.50) ADORA2AMAPTL3MBTL1CYP1A1CYP1A2
SCHEMBL21401209 0.74 MAOA (0.48) MAPTL3MBTL1CYP1A2MAOALMNA

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-2021112478-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-06-10 — — WO disclosed
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