SCHEMBL8053522

SCHEMBL8053522

Cc1ccc(C=Cc2ccnc3ccccc23)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.72
ALDH1A1 P00352 5/20 0.72
HPGD P15428 3/20 0.72
MEN1 O00255 3/20 0.72
KMT2A Q03164 3/20 0.72
HTT P42858 3/20 0.72
CASP3 P42574 2/20 0.72
SENP7 Q9BQF6 2/20 0.72
LMNA P02545 2/20 0.72
CYP1A2 P05177 2/20 0.63
HSD17B10 Q99714 2/20 0.63
NQO2 P16083 1/20 0.63
KDM4E B2RXH2 4/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
CYP2C9 P11712 1/20 0.58
ALOX15 P16050 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPK1 P28482 1/20 0.58
ATG4B Q9Y4P1 1/20 0.50
NPC1 O15118 3/20 0.48

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
SCHEMBL8053519 1.00 MAPT (0.72) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL8822028 0.92 ALDH1A1 (0.65) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL3174845 0.86 ALDH1A1 (0.76) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL3174841 0.86 ALDH1A1 (0.76) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL18349235 0.84 MAPT (0.72) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL9393619 0.84 ALDH1A1 (0.72) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL10324934 0.84 ALDH1A1 (1.00) MAPTALDH1A1HPGDMEN1KMT2A
Dimethylamine SCHEMBL11575501 0.84 MAPT (0.68) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL10324933 0.84 ALDH1A1 (1.00) MAPTALDH1A1HPGDMEN1KMT2A
SCHEMBL9394660 0.84 ALDH1A1 (0.72) MAPTALDH1A1HPGDMEN1KMT2A

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-6020436-A GRAFT POLYMERIZATION THE CHROMALINE CORPORATION (US) 2000-02-01 US disclosed
US-5506089-A CONTAINING HETEROCYCLIC QUATERNARY PENDANT GROUP THE CHROMALINE CORPORATION (US) 1996-04-09 US disclosed