SCHEMBL10559949

SCHEMBL10559949

CC(C)(C)C(=O)c1c[nH]nc1N

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 1/20 0.34
▸ HTR2A P28223 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ CDK5R1 Q15078 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ UCHL1 P09936 1/20 0.30
▸ TSHR P16473 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
SCHEMBL12391745 0.78 HTR2A (0.31) HTR2A
SCHEMBL17781246 0.78 ALDH1A1 (0.35) LMNATP53MAPTHPGDTSHR
SCHEMBL12450297 0.78 KDM4E (0.31) NPC1
SCHEMBL12304882 0.78 — —
SCHEMBL357764 0.75 — —
SCHEMBL918559 0.75 — —
SCHEMBL2794458 0.74 TSHR (0.50) GFERLMNAMAPTHPGDTSHR
SCHEMBL8080723 0.74 — —
SCHEMBL16572974 0.73 PLK1 (0.38) HPGDCDK5SMN1; SMN2TSHR
SCHEMBL15906055 0.71 TSHR (0.31) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4847256-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1989-07-11 — — US disclosed
EP-0264773-A1 4,5-dihydro and 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1988-04-27 — — EP disclosed
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