SCHEMBL6701694

SCHEMBL6701694

CCOc1cc(C)c(N)cc1N.COc1cc(C)cc(N)c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.43
▸ GAA P10253 3/20 0.43
▸ GFER P55789 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ PDE4A P27815 3/20 0.40
▸ PDE4B Q07343 3/20 0.40
▸ PDE4C Q08493 3/20 0.40
▸ PDE4D Q08499 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL4245018 0.86 GAA (0.51) POLBGAAGFERALDH1A1CYP3A4
SCHEMBL148285 0.82 MAPT (0.53) POLBGAAGFERALDH1A1CYP3A4
SCHEMBL29358090 0.82 MAPT (0.53) POLBGAAGFERALDH1A1CYP3A4
SCHEMBL6224497 0.81 ALDH1A1 (0.47) POLBGAAALDH1A1CYP3A4PDE4A
Hydrochloric Acid SCHEMBL29358790 0.81 MAPT (0.52) POLBGAAGFERALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL10362702 0.81 MAPT (0.52) POLBGAAGFERALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL3341943 0.81 MAPT (0.52) POLBGAAGFERALDH1A1CYP3A4
SCHEMBL4730926 0.79 ALDH1A1 (0.56) POLBGAAGFERALDH1A1CYP3A4
SCHEMBL5367514 0.77 POLB (0.43) POLBGAAGFERALDH1A1CYP3A4
SCHEMBL11653686 0.75 ALDH1A1 (0.53) POLBGAAGFERALDH1A1CYP3A4

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
WO-2004112736-A1 METHOD AND COMPOSITIONS FOR COLORING HAIR WITH TAURATE COPOLYMERS UNILEVER PLC (GB) 2004-12-29 — — WO disclosed
Send feedback