SCHEMBL6203978

SCHEMBL6203978

C[C@@]1(COc2cccc([N+](=O)[O-])c2CN)CCCN1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.35
▸ RAB9A P51151 3/20 0.35
▸ RECQL P46063 2/20 0.35
▸ ALDH1A1 P00352 8/20 0.33
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ HTT P42858 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NFKB1 P19838 1/20 0.31
▸ NFKB2 Q00653 1/20 0.31
▸ RELA Q04206 1/20 0.31
▸ LTA4H P09960 1/20 0.31
▸ PTGS1 P23219 1/20 0.31

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
SCHEMBL6205625 0.81 CTDSP1 (0.38) NPC1RAB9ARECQLALDH1A1L3MBTL1
SCHEMBL6203535 0.81 CYP2D6 (0.31) ALDH1A1
SCHEMBL6204267 0.68 MAPT (0.43) NPC1RAB9AALDH1A1HTTKMT2A
SCHEMBL5550682 0.67 TDP1 (0.54) NPC1RAB9ARECQLALDH1A1TDP1
SCHEMBL6203979 0.67 CHRNB4 (0.57) —
SCHEMBL5238160 0.67 CHRNB4 (0.57) —
SCHEMBL9203388 0.63 TSHR (0.58) NPC1RAB9ARECQLALDH1A1L3MBTL1
SCHEMBL2417639 0.62 CTDSP1 (0.42) NPC1RAB9ARECQLALDH1A1L3MBTL1
SCHEMBL8329812 0.61 ALDH1A1 (0.48) NPC1RAB9ARECQLALDH1A1L3MBTL1
SCHEMBL3599344 0.61 SMN1; SMN2 (0.47) ALDH1A1TDP1KMT2AMEN1MAPT

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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