SCHEMBL31154326

SCHEMBL31154326

COc1ccccc1-c1nc2cc(N)ccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 4/20 0.58
▸ SLC2A1 P11166 2/20 0.56
▸ AMY1A P0DUB6 5/20 0.54
▸ AURKA O14965 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.50
▸ GAA P10253 3/20 0.50
▸ PARP1 P09874 1/20 0.49
▸ FGFR1 P11362 1/20 0.48
▸ FGFR2 P21802 1/20 0.48
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ GLA P06280 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ F2 P00734 1/20 0.46
▸ F10 P00742 1/20 0.46

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
SCHEMBL2313228 1.00 PDE5A (0.58) PDE5ASLC2A1AMY1AAURKAALDH1A1
Hydrochloric Acid SCHEMBL3194225 0.99 PDE5A (0.59) PDE5ASLC2A1AMY1AAURKAALDH1A1
Hydrochloric Acid SCHEMBL3194238 0.88 PDE5A (0.62) PDE5ASLC2A1AMY1AAURKAALDH1A1
SCHEMBL4496081 0.85 ALDH1A1 (0.57) ALDH1A1GAANPC1RAB9AHPGD
SCHEMBL30863444 0.85 ALDH1A1 (0.57) ALDH1A1GAANPC1RAB9AHPGD
SCHEMBL23758274 0.83 AMY1A (0.64) PDE5ASLC2A1AMY1AAURKAFGFR1
SCHEMBL10748598 0.83 CDK4 (0.48) PDE5ASLC2A1AMY1AALDH1A1GAA
SCHEMBL2096956 0.82 AMY1A (0.76) PDE5ASLC2A1AMY1AAURKAALDH1A1
SCHEMBL31027930 0.82 AMY1A (0.76) PDE5ASLC2A1AMY1AAURKAALDH1A1
SCHEMBL3200875 0.81 SMN1; SMN2 (0.67) ALDH1A1GAANPC1RAB9AHPGD

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
WO-2024219864-A1 NOVEL COMPOUND EXHIBITING SETDB1 INHIBITORY ACTIVITY, AND USE THEREOF 주식회사 넷타겟 2024-10-24 — — WO disclosed
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