SCHEMBL16955855

SCHEMBL16955855

[CH2]c1cc(Br)ccc1C#N

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.46
▸ MAOA P21397 5/20 0.46
▸ SLC1A5 Q15758 1/20 0.37
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ MCL1 Q07820 1/20 0.34
▸ TRPV4 Q9HBA0 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPK1 P28482 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31

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
SCHEMBL1311628 0.82 MAOB (0.41) MAOBMAOASLC1A5NOS3NOS1
SCHEMBL30475151 0.78 MAOB (0.61) MAOBMAOASLC1A5NOS3NOS1
SCHEMBL1395661 0.78 MAOB (0.61) MAOBMAOASLC1A5NOS3NOS1
SCHEMBL1343170 0.76 MAOB (0.48) MAOBMAOASLC1A5NOS3NOS1
SCHEMBL16961222 0.76 MAOB (0.48) MAOBMAOASLC1A5NOS3NOS1
SCHEMBL5642351 0.74 IMPDH2 (0.41) TRPV4ALDH1A1
SCHEMBL1906136 0.73 MAOB (0.46) MAOBMAOASLC1A5NOS3NOS1
SCHEMBL16534885 0.73 MAOB (0.50) MAOBMAOASLC1A5NOS3NOS1
SCHEMBL267151 0.73 TRPV4 (0.57) MAOBMAOASLC1A5CYP11B1CYP11B2
SCHEMBL7485092 0.73 MAOB (0.46) MAOBMAOASLC1A5NOS3NOS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023080732-A1 COMPOUND HAVING BTK PROTEIN DEGRADATION ACTIVITY, AND MEDICAL USES THEREOF 주식회사 유빅스테라퓨틱스 2023-05-11 — — WO disclosed
CN-106459002-A Biaryl compounds useful in the treatment of human oncological, neurological and immunological diseases 比奥根MA公司 2017-02-22 — — CN disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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