SCHEMBL10367658

SCHEMBL10367658

CCC(Nc1nc(C)c(OC)c(C)n1)c1ccc(Cl)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP1A1 P05023 1/20 0.41
▸ ATP1B1 P05026 1/20 0.41
▸ ATP1A3 P13637 1/20 0.41
▸ ATP1B2 P14415 1/20 0.41
▸ ATP1A2 P50993 1/20 0.41
▸ ATP1B3 P54709 1/20 0.41
▸ FXYD2 P54710 1/20 0.41
▸ ATP1A4 Q13733 1/20 0.41
▸ MAPK1 P28482 3/20 0.37
▸ CRHR1 P34998 5/20 0.37
▸ PRLHR P49683 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CTSA P10619 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ TACR3 P29371 2/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ TACR2 P21452 1/20 0.33

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
SCHEMBL10369585 0.83 ALDH1A1 (0.40) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL10367693 0.82 ATP1A1 (0.42) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL10767095 0.77 CYP17A1 (0.37) CRHR1MEN1KMT2A
SCHEMBL10367948 0.72 CACNA2D1 (0.41) MAPK1CRHR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL10369767 0.71 LMNA (0.48) CRHR1ALDH1A1LMNASMN1; SMN2CTSA
SCHEMBL10368708 0.70 LMNA (0.49) CRHR1ALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL11282132 0.69 AKT1 (0.44) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL21734106 0.68 ATP1A1 (0.45) ATP1A1ATP1B1ATP1A3ATP1B2ATP1A2
SCHEMBL10367659 0.68 ESR1 (0.43) —
Phosphoric Acid SCHEMBL10367954 0.67 TACR3 (0.41) ALDH1A1LMNATACR3TACR2

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
EP-0210044-B1 HYDROXY AND ALKOXY PYRIMIDINES PFIZER INC. (US) 1990-08-29 — — EP claimed
EP-0210044-B1 HYDROXY AND ALKOXY PYRIMIDINES PFIZER INC. (US) 1990-08-29 — — EP disclosed
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