SCHEMBL30656645

SCHEMBL30656645

O=C(Nc1nnc(-c2cccc(Br)c2)o1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADCY1 Q08828 14/20 0.65
▸ ADCY8 P40145 8/20 0.60
▸ LMNA P02545 4/20 0.56
▸ HTT P42858 4/20 0.56
▸ TDP1 Q9NUW8 3/20 0.56
▸ KMT2A Q03164 3/20 0.56
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ OPRK1 P41145 2/20 0.56
▸ CCR6 P51684 2/20 0.56
▸ TP53 P04637 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ KDM4E B2RXH2 4/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MCOLN3 Q8TDD5 1/20 0.55
▸ ALOX15 P16050 1/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ CXCR5 P32302 1/20 0.54
▸ APLNR P35414 1/20 0.54
▸ NPC1 O15118 1/20 0.53

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
SCHEMBL26665233 1.00 ADCY1 (0.65) ADCY1ADCY8LMNAHTTTDP1
SCHEMBL26665238 0.90 ADCY1 (0.77) ADCY1ADCY8LMNAHTTTDP1
SCHEMBL26665242 0.89 ADCY1 (0.76) ADCY1ADCY8LMNAHTTTDP1
SCHEMBL30656657 0.89 ADCY1 (0.76) ADCY1ADCY8LMNAHTTTDP1
SCHEMBL25497071 0.88 ADCY1 (0.63) ADCY1ADCY8LMNAHTTTDP1
SCHEMBL22589708 0.87 ADCY1 (0.54) ADCY1ADCY8LMNAHTTTDP1
SCHEMBL30656655 0.86 ADCY1 (0.65) ADCY1ADCY8LMNAHTTTDP1
SCHEMBL26665232 0.86 ADCY1 (0.65) ADCY1ADCY8LMNAHTTTDP1
SCHEMBL30405379 0.86 ADCY1 (0.58) ADCY1ADCY8LMNAHTTTDP1
SCHEMBL25496709 0.86 ADCY1 (0.58) ADCY1ADCY8LMNAHTTTDP1

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-2023224371-A1 NOVEL OXADIAZOLE DERIVATIVE COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROINFLAMMATORY DISEASES COMPRISING SAME (주)셀로스바이오텍 2023-11-23 — — WO claimed
WO-2023224371-A1 NOVEL OXADIAZOLE DERIVATIVE COMPOUND, AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING NEUROINFLAMMATORY DISEASES COMPRISING SAME (주)셀로스바이오텍 2023-11-23 — — WO disclosed
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