SCHEMBL11422951

SCHEMBL11422951

Cc1ccc(NC(=O)Nc2ccc(C)c(C(=O)Nc3cc4cc(O)ccc4cc3S(=O)(=O)O)c2)cc1C(=O)Nc1cc2cc(O)ccc2cc1S(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BLK P51451 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ SRC P12931 1/20 0.40
▸ ENPP2 Q13822 5/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ IDH1 O75874 2/20 0.39
▸ TIMP3 P35625 2/20 0.39
▸ PPARG P37231 1/20 0.39
▸ PPARA Q07869 1/20 0.39
▸ NR1H4 Q96RI1 1/20 0.39
▸ LDLR P01130 1/20 0.38
▸ TRPV1 Q8NER1 2/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ENPP3 O14638 1/20 0.38
▸ ENTPD3 O75355 1/20 0.38

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
SCHEMBL10908810 0.94 BLK (0.42) BLKBTKSRCENPP2KMT2A
SCHEMBL11343129 0.83 PRMT1 (0.44) SRCENPP2KMT2APOLBIDH1
SCHEMBL11341737 0.83 TIMP3 (0.50) ENPP2POLBTIMP3TRPV1HPSE
SCHEMBL10823660 0.83 IDH1 (0.53) IDH1
SCHEMBL11417274 0.82 PRMT1 (0.49) ENPP2KMT2ATIMP3TRPV1MEN1
SCHEMBL11342069 0.81 ENPP2 (0.43) BLKBTKENPP2IDH1LDLR
SCHEMBL11341803 0.81 ENPP2 (0.36) BLKBTKENPP2KMT2ATIMP3
SCHEMBL11341747 0.80 PRMT1 (0.50) ENPP2KMT2APOLBTIMP3CA2
SCHEMBL11336058 0.80 TIMP3 (0.46) ENPP2KMT2AIDH1TIMP3PPARG
SCHEMBL11341170 0.80 TIMP3 (0.46) ENPP2KMT2AIDH1TIMP3PPARG

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-4216164-A Ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
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