SCHEMBL10580031

SCHEMBL10580031

COc1c(-c2nc3cc(C(C)(C)CN)ccc3[nH]2)ccc(C)c1S

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AMY1A P0DUB6 11/20 0.46
▸ ALDH1A1 P00352 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ RECQL P46063 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SLC2A1 P11166 1/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ PKM P14618 1/20 0.31
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ MGAM O43451 1/20 0.31
▸ SI P14410 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
SCHEMBL10693982 0.84 AMY1A (0.38) AMY1AALDH1A1HPGDKDM4EMAPT
SCHEMBL10575328 0.83 AMY1A (0.41) AMY1AMAPTSMN1; SMN2
SCHEMBL10695056 0.83 AMY1A (0.41) AMY1AMAPTSMN1; SMN2
SCHEMBL10574074 0.77 AMY1A (0.47) AMY1ASLC2A1
SCHEMBL11022045 0.76 AMY1A (0.47) AMY1A
SCHEMBL10576332 0.76 AMY1A (0.38) AMY1ASLC2A1NPC1RAB9APKM
SCHEMBL11019293 0.76 AMY1A (0.49) AMY1A
SCHEMBL10577409 0.76 AMY1A (0.36) AMY1AALDH1A1HPGDKDM4EMAPT
SCHEMBL10573902 0.75 NPC1 (0.54) ALDH1A1HPGDKDM4EMAPTGAA
SCHEMBL11020728 0.75 AMY1A (0.48) AMY1AALDH1A1HPGDKDM4EMAPT

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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