SCHEMBL11877702

SCHEMBL11877702

Nc1ccc(Nc2cccc3c2C(=O)c2ccc(SCCO)c(Nc4ccc(N)cc4)c2C3=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNG2 P59768 3/20 0.39
▸ GNB1 P62873 3/20 0.39
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ FGB P02675 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ MAPT P10636 5/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ CYP1A2 P05177 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ STAT3 P40763 2/20 0.36
▸ NSD2 O96028 1/20 0.36

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
SCHEMBL30301548 0.78 GNG2 (0.52) GNG2GNB1MAPTRAB9AMAPK1
SCHEMBL7061696 0.78 GNG2 (0.52) GNG2GNB1MAPTRAB9AMAPK1
Alcohol SCHEMBL11877715 0.78 GNG2 (0.41) GNG2GNB1MEN1KMT2AFGB
SCHEMBL11879902 0.77 GNG2 (0.43) GNG2GNB1MEN1KMT2AMAPT
SCHEMBL7064424 0.74 MAPK1 (0.56) GNG2GNB1MAPTRAB9AMAPK1
SCHEMBL30608528 0.74 MAPT (0.50) GNG2GNB1MAPTRAB9ALMNA
SCHEMBL13909079 0.69 MAPT (0.69) MEN1KMT2AFGBPOLBMAPT
SCHEMBL10098909 0.69 MEN1 (0.49) GNG2GNB1MEN1KMT2AFGB
SCHEMBL6374043 0.68 MAPT (0.55) MEN1KMT2AFGBPOLBMAPT
SCHEMBL11810473 0.67 MAOA (0.54) GNG2GNB1MEN1KMT2AMAPT

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-3971740-A DYES FOR POLYESTER FIBERS CIBA-GEIGY AG (CH) 1976-07-27 — — US disclosed
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