SCHEMBL9195443

SCHEMBL9195443

S=C1COc2c[c]ccc2N1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ HK1 P19367 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ GALK1 P51570 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HKDC1 Q2TB90 1/20 0.32
▸ MMP12 P39900 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL75634 0.79 MMP12 (0.47) MAPTKMT2AMMP12ALDH1A1
SCHEMBL88718 0.73 MEN1 (0.50) KDM4EMEN1NPC1HSP90AA1MAPT
SCHEMBL852319 0.70 ALOX5 (0.46) —
SCHEMBL2033180 0.69 — —
SCHEMBL9210543 0.67 CYP1A2 (0.39) KDM4EMEN1NPC1HSP90AA1MAPT
SCHEMBL428302 0.67 ALDH1A1 (0.44) KDM4EMAPTALDH1A1
SCHEMBL8781985 0.66 — —
SCHEMBL8195292 0.66 MMP12 (0.41) MAPTBLMKMT2AMMP12ALDH1A1
SCHEMBL8490860 0.66 MMP12 (0.41) KDM4EMEN1NPC1MAPTTHRB
SCHEMBL10510154 0.66 NR3C2 (0.48) MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0462813-B1 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-10-25 — — EP claimed
US-5217969-A Antiinflammatory, antiulcer agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 — — US claimed
EP-0462813-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 — — EP claimed
EP-0462813-B1 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-10-25 — — EP disclosed
US-5373007-A Lipoxygenase inhibitors ZENECA LIMITED (GB) 1994-12-13 — — US disclosed
US-5217969-A Antiinflammatory, antiulcer agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 — — US disclosed
EP-0462813-A2 Bicyclic pyran derivatives and their use as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 — — EP disclosed
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