SCHEMBL4581953

SCHEMBL4581953

Clc1nc(Cl)nc(Nc2ccc(C=Cc3ccccc3)cc2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 4/20 0.70
▸ MAPT P10636 3/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ KMT2A Q03164 2/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ LMNA P02545 1/20 0.56
▸ TXN P10599 1/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ CA12 O43570 3/20 0.51
▸ CA1 P00915 3/20 0.51
▸ CA2 P00918 3/20 0.51
▸ CA9 Q16790 3/20 0.51
▸ CA14 Q9ULX7 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ POLB P06746 1/20 0.45
▸ DDX3X O00571 1/20 0.45
▸ PDE5A O76074 1/20 0.43

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
SCHEMBL4581951 1.00 NFKB1 (0.70) NFKB1MAPTMEN1KMT2AMAPK1
SCHEMBL23643402 0.83 NFKB1 (0.92) NFKB1MAPTMEN1KMT2AMAPK1
SCHEMBL28412986 0.83 MAPT (0.59) NFKB1MAPTMEN1KMT2AMAPK1
SCHEMBL21655135 0.83 NFKB1 (1.00) NFKB1MAPTMEN1KMT2AMAPK1
SCHEMBL113103 0.83 NFKB1 (1.00) NFKB1MAPTMEN1KMT2AMAPK1
SCHEMBL29886003 0.82 MAPT (0.57) NFKB1MAPTMEN1KMT2AMAPK1
SCHEMBL2201567 0.81 PTGS2 (0.49) NFKB1MAPTMEN1KMT2AMAPK1
SCHEMBL11837292 0.81 NFKB1 (0.78) NFKB1MAPTMEN1KMT2AMAPK1
SCHEMBL11785940 0.80 NFKB1 (0.78) NFKB1MAPTMEN1KMT2AMAPK1
Dyrene SCHEMBL2065280 0.80 TSHR (0.77) NFKB1MAPTMEN1KMT2AMAPK1

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
EP-1900772-A2 Shape retention of fibrous materials using polymers Henkel Kommanditgesellschaft auf Aktien (DE) 2008-03-19 — — EP disclosed
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