SCHEMBL7869607

SCHEMBL7869607

Cc1cc2c(cc1Nc1ccccc1)Cc1ccc(NCC3CCCCC3)cc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ALDH3A1 P30838 1/20 0.41
LDLR P01130 1/20 0.36
EPHX1 P07099 1/20 0.36
CSNK2A1 P68400 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
ITK Q08881 2/20 0.35
CARM1 Q86X55 1/20 0.34
PRMT6 Q96LA8 1/20 0.34
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
CD38 P28907 1/20 0.34
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
KCNH3 Q9ULD8 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL30572811 0.82 GAA (0.38) MEN1KMT2AALDH1A1POLBATM
SCHEMBL29068477 0.82 GAA (0.38) MEN1KMT2AALDH1A1POLBATM
SCHEMBL30572824 0.76 JAK3 (0.41) MEN1KMT2AALDH1A1POLBATM
SCHEMBL29068526 0.76 JAK3 (0.41) MEN1KMT2AALDH1A1POLBATM
SCHEMBL7868928 0.75 GAA (0.34) KMT2AALDH1A1KCNH3
SCHEMBL10932393 0.73 GAA (0.38) MEN1KMT2AALDH1A1POLBATM
SCHEMBL7868922 0.72 HSD17B10 (0.40) ALDH1A1ATMKCNH3
SCHEMBL10723107 0.71 CYP3A4 (0.41) MEN1KMT2AALDH1A1ALDH3A1POLB
SCHEMBL30572800 0.71 GAA (0.38) ALDH1A1
SCHEMBL9403766 0.71 GAA (0.38) ALDH1A1

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-6303259-B1 FOR COLOR DUPLICATORS, COLOR PRINTERS, ETC MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 2001-10-16 US disclosed