SCHEMBL6204267

SCHEMBL6204267

C[C@@]1(COc2ccc([N+](=O)[O-])c(C#N)c2)CCCN1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.43
▸ ALDH1A1 P00352 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CYP1A2 P05177 2/20 0.34
▸ GRIA1 P42261 2/20 0.34
▸ GRIA2 P42262 2/20 0.34
▸ GRIA3 P42263 2/20 0.34
▸ GRIA4 P48058 2/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ VCAM1 P19320 2/20 0.33
▸ HTT P42858 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

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
SCHEMBL3641290 0.78 RXRA (0.44) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL6205625 0.76 CTDSP1 (0.38) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL9072647 0.72 MAPT (0.60) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL13876610 0.71 MAPT (0.55) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL404515 0.70 ALDH1A1 (0.48) MAPTALDH1A1LMNACYP1A2GRIA1
SCHEMBL28017803 0.70 MAPT (0.53) MAPTALDH1A1LMNACYP1A2GRIA1
SCHEMBL28017764 0.70 MAPT (0.56) MAPTALDH1A1LMNACYP1A2GRIA1
SCHEMBL11475898 0.68 MERTK (0.48) MAPTALDH1A1CYP1A2GRIA1GRIA2
SCHEMBL5237368 0.68 CHRNB4 (0.64) —
SCHEMBL6204269 0.68 CHRNB4 (0.64) —

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-1507776-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS Amgen Inc. (US) 2005-02-23 — — EP disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 — — WO disclosed
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