SCHEMBL10580470

SCHEMBL10580470

Nc1nc(=O)[nH]cc1NCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.50
▸ APP P05067 2/20 0.46
▸ PNP P00491 1/20 0.46
▸ PI4KA P42356 2/20 0.43
▸ PI4K2B Q8TCG2 2/20 0.43
▸ PI4K2A Q9BTU6 2/20 0.43
▸ PI4KB Q9UBF8 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ ELANE P08246 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ CDK1 P06493 1/20 0.43

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
SCHEMBL24725165 0.75 APP (0.50) APPPNPPI4KAPI4K2BPI4K2A
SCHEMBL10579911 0.73 AURKA (0.33) —
SCHEMBL28526402 0.73 APP (0.55) HSD17B10APPKDM4EMEN1KMT2A
SCHEMBL1518098 0.72 PDE10A (0.33) —
SCHEMBL248683 0.71 ELANE (0.50) HSD17B10APPKDM4EMEN1KMT2A
SCHEMBL8089268 0.71 HSD17B10 (0.50) BACE1HSD17B10PNPMAPTKDM4E
SCHEMBL2463445 0.71 APP (0.56) APPMAPTKDM4EKMT2AELANE
SCHEMBL17807836 0.70 BACE1 (0.58) BACE1HSD17B10APPPI4KAPI4K2B
SCHEMBL16818759 0.70 BACE1 (0.58) BACE1HSD17B10APPMAPTKDM4E
SCHEMBL24433885 0.70 HDAC8 (0.49) HSD17B10MAPTKDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4879377-A Nucleoside process BRISTOL-MYERS COMPANY (US) 1989-11-07 — — US disclosed
EP-0145978-B1 NUCLEOSIDE PROCESS Bristol-Myers Company (US) 1989-04-19 — — EP disclosed
US-4625020-A Nucleoside process BRISTOL-MYERS COMPANY (US) 1986-11-25 — — US disclosed
EP-0145978-A2 Nucleoside process Bristol-Myers Company (US) 1985-06-26 — — EP disclosed
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