SCHEMBL10574074

SCHEMBL10574074

COc1cc(Cl)ccc1-c1nc2cc(C(C)(C)CN)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 15/20 0.47
▸ ADORA2B P29275 1/20 0.41
▸ FGFR1 P11362 1/20 0.39
▸ NR1I2 O75469 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ SLC2A1 P11166 1/20 0.37

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
SCHEMBL10574081 0.91 AMY1A (0.56) AMY1AADORA2B
SCHEMBL10576332 0.85 AMY1A (0.38) AMY1AHSP90AA1SLC2A1
SCHEMBL10574093 0.84 AMY1A (0.43) AMY1AADORA2BFGFR1NR1I2
SCHEMBL10575959 0.79 AMY1A (0.38) AMY1ANR1I2HSP90AA1SLC2A1
SCHEMBL10579198 0.79 ALOX5 (0.53) AMY1A
SCHEMBL10580031 0.77 AMY1A (0.46) AMY1ASLC2A1
SCHEMBL10580044 0.77 AMY1A (0.41) AMY1AHSP90AA1
SCHEMBL13406023 0.77 AMY1A (0.60) AMY1A
SCHEMBL1483091 0.76 AMY1A (0.65) AMY1AFGFR1SLC2A1
SCHEMBL10573902 0.76 NPC1 (0.54) SLC2A1

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
US-4882342-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-11-21 — — US disclosed
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