SCHEMBL11201807

SCHEMBL11201807

COc1ccc(CNc2cc(C(=O)O)cc(S(N)(=O)=O)c2-c2cccs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ESR1 P03372 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA2 P00918 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 4/20 0.43
ASPH Q12797 1/20 0.43
RIOX2 Q8IUF8 1/20 0.43
KDM8 Q8N371 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
PPARA Q07869 1/20 0.42
UBE2I P63279 1/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
TSHR P16473 2/20 0.41

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
SCHEMBL11202475 0.91 SMN1; SMN2 (0.46) LMNAMEN1KMT2ASMN1; SMN2CA2
SCHEMBL11202899 0.89 CISD1 (0.42) LMNAMEN1KMT2ASMN1; SMN2CA2
SCHEMBL11165688 0.89 CISD1 (0.49) LMNACA2CA12CA1CA9
SCHEMBL11170323 0.87 CISD1 (0.51) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL11194787 0.84 KDM4E (0.46) LMNAMEN1KMT2ACA2KDM4E
SCHEMBL11159696 0.83 CISD1 (0.58) LMNAMEN1KMT2ASMN1; SMN2CA2
SCHEMBL11167102 0.82 KDM5A (0.43) CA2CA12CA1CA9PPARA
SCHEMBL11192732 0.79 KDM4E (0.59) LMNACA2CA12CA1KDM4E
SCHEMBL11165513 0.79 CISD1 (0.42) LMNAMEN1KMT2ASMN1; SMN2CA2
SCHEMBL11167238 0.79 ALDH1A1 (0.53) LMNAMEN1KMT2ASMN1; SMN2CA2

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-4393072-A Thienylbenzoic acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1983-07-12 US disclosed