SCHEMBL11167102

SCHEMBL11167102

NS(=O)(=O)c1cc(C(=O)O)cc(NCc2cccc(F)c2)c1-c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM5B Q9UGL1 1/20 0.43
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
CISD1 Q9NZ45 3/20 0.41
CDC7 O00311 1/20 0.40
ROCK2 O75116 1/20 0.40
MAP4K4 O95819 1/20 0.40
PIM1 P11309 1/20 0.40
CDK2 P24941 1/20 0.40
GSK3B P49841 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
FFAR1 O14842 1/20 0.40
ACLY P53396 1/20 0.39
TAS2R14 Q9NYV8 2/20 0.38
RPS6KB1 P23443 2/20 0.37
PPARA Q07869 1/20 0.37
POLB P06746 1/20 0.37
NTRK1 P04629 1/20 0.37

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
SCHEMBL11170323 0.90 CISD1 (0.51) CISD1ACLYPPARAPOLBSCN9A
SCHEMBL11165688 0.90 CISD1 (0.49) RAB9ACISD1POLBSCN9ACA12
SCHEMBL11202475 0.86 SMN1; SMN2 (0.46) TAS2R14POLBCA1CA2CA7
SCHEMBL11165742 0.85 KDM5A (0.43) KDM5AKDM4CKDM5BCISD1CDC7
SCHEMBL11202899 0.84 CISD1 (0.42) RAB9ACISD1POLBSCN9ACA12
SCHEMBL11159696 0.84 CISD1 (0.58) KDM4CRAB9ACISD1ACLYPOLB
SCHEMBL11165513 0.83 CISD1 (0.42) MAPK1RAB9ACISD1ACLYPOLB
SCHEMBL11201807 0.82 LMNA (0.44) RAB9ACISD1PPARAPOLBCA12
SCHEMBL11167238 0.80 ALDH1A1 (0.53) KDM4CRAB9ACISD1POLBCA12
SCHEMBL11192732 0.78 KDM4E (0.59) CISD1CA12CA1CA2CA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4393072-A Thienylbenzoic acid derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1983-07-12 US disclosed
EP-0011282-B1 THIENYLBENZOIC-ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND PHARMACEUTICAL PREPARATIONS CONTAINING THESE COMPOUNDS HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-16 EP disclosed
EP-0011282-A1 Thienylbenzoic-acid derivatives, process for their production, and pharmaceutical preparations containing these compounds HOECHST AKTIENGESELLSCHAFT (DE) 1980-05-28 EP disclosed