SCHEMBL30693465

SCHEMBL30693465

O=c1[nH]cnn1Cc1cc2cc(Br)ccc2s1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 6/20 0.49
▸ HSP90AA1 P07900 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ TBXAS1 P24557 1/20 0.34
▸ CTRC Q99895 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ CTSC P53634 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ADRA1D P25100 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ PIM2 Q9P1W9 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
SCHEMBL33377743 0.77 GABRP (0.42) LMNAMEN1RAB9AKMT2A
SCHEMBL33377634 0.76 PIK3CD (0.45) —
SCHEMBL30947293 0.74 AKR1B1 (0.47) AKR1B1HSP90AA1LMNATBXAS1CTRC
SCHEMBL21493543 0.74 AKR1B1 (0.47) AKR1B1HSP90AA1LMNATBXAS1CTRC
SCHEMBL31095721 0.67 HSP90AA1 (0.49) AKR1B1HSP90AA1LMNAMEN1RAB9A
SCHEMBL3741364 0.67 HSP90AA1 (0.49) AKR1B1HSP90AA1LMNAMEN1RAB9A
SCHEMBL13907589 0.66 HSP90AA1 (0.47) AKR1B1HSP90AA1LMNAMEN1RAB9A
SCHEMBL13978896 0.66 CYP2A6 (0.58) AKR1B1HSP90AA1LMNAMEN1RAB9A
SCHEMBL3051489 0.66 CYP2A6 (0.58) AKR1B1HSP90AA1LMNAMEN1RAB9A
SCHEMBL31095741 0.66 CYP2A6 (0.58) AKR1B1HSP90AA1LMNAMEN1RAB9A

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
CN-111886233-B Triazolone derivatives or salts thereof and pharmaceutical compositions containing the same 柳韩洋行 2024-01-02 — — CN disclosed
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