SCHEMBL25945211

SCHEMBL25945211

CCc1ccc(Cl)cc1-c1c(F)cccc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 2/20 0.40
▸ KCNH2 Q12809 2/20 0.36
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ PDE2A O00408 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ GABRA1 P14867 1/20 0.34
▸ GABRB2 P47870 1/20 0.34
▸ F2R P25116 1/20 0.34
▸ GCGR P47871 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ S1PR4 O95977 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ PTGER1 P34995 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 1/20 0.32

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
SCHEMBL19802353 0.77 EPHX2 (0.41) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL19802354 0.77 KMT2A (0.42) NPC1RAB9ASMN1; SMN2HPGDMEN1
SCHEMBL20982342 0.75 CXCR2 (0.40) GRM2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL25340105 0.74 NPC1 (0.35) GRM2KCNH2NPC1RAB9ASMN1; SMN2
SCHEMBL19802986 0.73 KMT2A (0.39) PDE2APDE10AMEN1KMT2ALMNA
SCHEMBL29534146 0.73 CRHR1 (0.36) GRM2NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL22058661 0.72 HSP90AA1 (0.39) SMN1; SMN2HPGDGABRA1GABRB2MEN1
SCHEMBL22590245 0.71 ALDH1A1 (0.41) KCNH2SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL23339896 0.70 SLC6A2 (0.39) GRM2KCNH2HPGDGABRA1GABRB2
SCHEMBL23783887 0.70 GRM2 (0.43) GRM2NPC1RAB9ASMN1; SMN2PDE2A

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
WO-2023146319-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-08-03 — — WO disclosed
WO-2023146318-A1 ORGANIC LIGHT-EMITTING DEVICE 주식회사 엘지화학 2023-08-03 — — WO disclosed
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