SCHEMBL30168972

SCHEMBL30168972

Nc1cc(-c2ccccc2)cc(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ HSP90AB1 P08238 1/20 0.53
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ ADORA2A P29274 6/20 0.47
▸ ADORA1 P30542 6/20 0.47
▸ LMNA P02545 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ CDK9 P50750 2/20 0.45
▸ DYRK1A Q13627 2/20 0.45
▸ CDC7 O00311 1/20 0.45
▸ DAPK3 O43293 1/20 0.45
▸ ROCK2 O75116 1/20 0.45
▸ PRKD3 O94806 1/20 0.45
▸ MAP4K4 O95819 1/20 0.45
▸ PAK4 O96013 1/20 0.45
▸ PIM1 P11309 1/20 0.45

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
SCHEMBL23860768 1.00 KDM4E (0.53) KDM4EHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL901375 0.84 MEN1 (0.60) KDM4EMEN1KMT2AADORA2AADORA1
SCHEMBL4000527 0.84 KDM4E (0.52) KDM4EHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL20396108 0.82 CYP1A2 (0.52) KDM4EHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL13868443 0.80 NQO2 (0.52) HSP90AA1HSP90AB1MEN1ADORA2AALDH1A1
SCHEMBL3156245 0.78 ADORA2A (0.66) KDM4EHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL6118317 0.77 KDM4E (0.60) KDM4EHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL4257749 0.77 MEN1 (0.79) KDM4EHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL2327791 0.75 LMNA (0.63) KDM4EHSP90AA1HSP90AB1MEN1KMT2A
SCHEMBL26626435 0.75 KDM4E (0.58) KDM4EHSP90AA1HSP90AB1MEN1KMT2A

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
CN-116507626-A Compositions and methods for modulating short-chain dehydrogenase activity 罗迪奥治疗公司 2023-07-28 — — CN disclosed
EP-4126843-A1 SUBSTITUTED OXOISOINDOLINE COMPOUNDS FOR THE TREATMENT OF CANCER Bristol-Myers Squibb Company (US) 2023-02-08 — — EP disclosed
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