SCHEMBL11518673

SCHEMBL11518673

CCOc1ccc(OS(=O)(=O)c2ccc(NC(=O)CN)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
POLB P06746 2/20 0.60
PPARG P37231 1/20 0.55
NR2E3 Q9Y5X4 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
ALDH1A1 P00352 7/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
MAPT P10636 5/20 0.53
TDP1 Q9NUW8 2/20 0.52
LMNA P02545 2/20 0.52
CYP1A2 P05177 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
MAPK1 P28482 2/20 0.52
KDM4E B2RXH2 2/20 0.52
HTT P42858 1/20 0.52
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL11522507 0.90 CA1 (0.62) MEN1KMT2APOLBALDH1A1CA1
SCHEMBL11521863 0.90 CA1 (0.55) MEN1KMT2APOLBALDH1A1CA1
SCHEMBL29673526 0.88 ALDH1A1 (0.73) MEN1KMT2APOLBPPARGNR2E3
SCHEMBL11522926 0.88 ENPP1 (0.60) MEN1KMT2APOLBALDH1A1CA1
SCHEMBL11519385 0.88 MEN1 (0.58) MEN1KMT2AALDH1A1CA1CA2
SCHEMBL22187293 0.88 MAPT (0.64) MEN1KMT2APOLBALDH1A1CA1
SCHEMBL11520764 0.86 CA1 (0.51) MEN1KMT2APOLBALDH1A1CA1
SCHEMBL25086 0.86 POLB (0.80) MEN1KMT2APOLBALDH1A1MAPT
SCHEMBL11519505 0.85 CA1 (0.56) MEN1KMT2APOLBPPARGNR2E3
SCHEMBL11518193 0.85 MEN1 (0.69) MEN1KMT2AALDH1A1CA1CA2

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-4176192-A ANTHELMINTICS HOECHST AKTIENGESELLSCHAFT (DE) 1979-11-27 US disclosed