SCHEMBL31625319

SCHEMBL31625319

Clc1cccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc5sc6ccccc6c5c5ccccc45)c3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I3 Q14994 1/20 0.43
▸ ABCG2 Q9UNQ0 4/20 0.40
▸ PDE5A O76074 3/20 0.40
▸ TGFBR1 P36897 1/20 0.40
▸ SLC9A1 P19634 2/20 0.39
▸ DPP4 P27487 1/20 0.38
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ GRM5 P41594 1/20 0.35
▸ HTT P42858 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL22276547 0.92 ADORA2A (0.38) NR1I3ABCG2SLC9A1ADORA2AADORA1
SCHEMBL20064186 0.91 ADORA2A (0.37) ABCG2SLC9A1ADORA2AADORA1KDM4E
SCHEMBL26231736 0.85 NR1I3 (0.45) NR1I3ABCG2PDE5ATGFBR1SLC9A1
SCHEMBL24759069 0.84 MEN1 (0.39) ABCG2SLC9A1ADORA2AADORA1KDM4E
SCHEMBL27253566 0.82 PIM3 (0.39) ADORA2AADORA1KDM4EMEN1MAPT
SCHEMBL20871911 0.82 PIM3 (0.36) NR1I3ABCG2PDE5AADORA2AADORA1
SCHEMBL22879774 0.82 F9 (0.41) ABCG2SLC9A1ADORA2AADORA1KDM4E
SCHEMBL22073887 0.82 ALDH1A1 (0.36) ABCG2PDE5AADORA2AADORA1KDM4E
SCHEMBL24151912 0.82 NR1I3 (0.44) NR1I3ABCG2PDE5ATGFBR1SLC9A1
SCHEMBL24152808 0.81 NR1I3 (0.46) NR1I3ABCG2PDE5ATGFBR1DPP4

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-2025127735-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 솔루스첨단소재 주식회사 2025-06-19 — — WO disclosed
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