SCHEMBL5066756

SCHEMBL5066756

CCN(CC)c1ccc(/C=C2/CCC(=O)/C2=C\c2ccc(N(CC)CC)cc2)cc1.CN(C)c1ccc(/C=C2/CCC/C(=C\c3ccc(N(C)C)cc3)C2=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.65
MEN1 O00255 8/20 0.60
KMT2A Q03164 8/20 0.60
ALDH1A1 P00352 7/20 0.60
MAPT P10636 6/20 0.60
LMNA P02545 4/20 0.60
HPGD P15428 3/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
EGFR P00533 1/20 0.53
MAPK1 P28482 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MCOLN3 Q8TDD5 1/20 0.52
FGFR1 P11362 1/20 0.50
NPSR1 Q6W5P4 2/20 0.46
RECQL P46063 1/20 0.46
NSD2 O96028 1/20 0.45
CYP26A1 O43174 1/20 0.44
MIF P14174 1/20 0.44

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
SCHEMBL5066757 1.00 CYP1A2 (0.65) CYP1A2MEN1KMT2AALDH1A1MAPT
SCHEMBL28246008 0.88 ALDH1A1 (0.54) CYP1A2MEN1KMT2AALDH1A1MAPT
SCHEMBL814861 0.88 ALDH1A1 (0.54) CYP1A2MEN1KMT2AALDH1A1MAPT
SCHEMBL814860 0.88 ALDH1A1 (0.54) CYP1A2MEN1KMT2AALDH1A1MAPT
SCHEMBL352162 0.85 CYP1A2 (0.69) CYP1A2MEN1KMT2AALDH1A1MAPT
SCHEMBL352161 0.85 CYP1A2 (0.69) CYP1A2MEN1KMT2AALDH1A1MAPT
SCHEMBL2847156 0.82 CYP1A2 (0.58) CYP1A2MEN1KMT2AALDH1A1MAPT
SCHEMBL51252 0.82 CYP1A2 (0.58) CYP1A2MEN1KMT2AALDH1A1MAPT
SCHEMBL29099922 0.82 CYP1A2 (0.58) CYP1A2MEN1KMT2AALDH1A1MAPT
SCHEMBL51253 0.82 CYP1A2 (0.58) CYP1A2MEN1KMT2AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7411780-B2 Paste, display member, and process for production of display member TORAY INDUSTRIES, INC. (JP) 2008-08-12 US disclosed