SCHEMBL4572353

SCHEMBL4572353

O=Cc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 4/20 0.58
▸ CA12 O43570 2/20 0.56
▸ CA1 P00915 2/20 0.56
▸ CA2 P00918 2/20 0.56
▸ CA9 Q16790 2/20 0.56
▸ CA14 Q9ULX7 1/20 0.56
▸ TXN P10599 1/20 0.54
▸ MAPT P10636 3/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ POLB P06746 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ CACNA1B Q00975 1/20 0.47
▸ APBA1 Q02410 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ NPC1 O15118 2/20 0.45
▸ NR1I2 O75469 1/20 0.44
▸ AHR P35869 1/20 0.44

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
SCHEMBL11837292 0.84 NFKB1 (0.78) NFKB1CA12CA1CA2CA9
SCHEMBL11441071 0.81 NFKB1 (0.58) NFKB1CA12CA1CA2CA9
SCHEMBL4581951 0.79 NFKB1 (0.70) NFKB1CA12CA1CA2CA9
SCHEMBL4581953 0.79 NFKB1 (0.70) NFKB1CA12CA1CA2CA9
SCHEMBL11860070 0.78 CA9 (0.56) NFKB1CA12CA1CA2CA9
SCHEMBL3500246 0.78 NFKB1 (0.69) NFKB1CA12CA1CA2CA9
SCHEMBL24390655 0.78 CA1 (0.38) CA12CA1CA2CA9CA14
SCHEMBL23868900 0.78 ALDH5A1 (0.59) CA9MAPTMEN1KMT2APOLB
SCHEMBL8347949 0.75 CA9 (0.58) CA12CA1CA2CA9CA14
SCHEMBL7554959 0.75 CYP2A6 (0.50) MAPK1KDM4EPTGS2HSD17B10RAB9A

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-20120118205-A1 SELF-DISPERSED PIGMENTS AND METHODS FOR MAKING AND USING THE SAME SENSIENT COLORS INC. 2012-05-17 — — US disclosed
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