SCHEMBL8070495

SCHEMBL8070495

CS(=O)(=O)c1cc(C(=O)O)ccc1Oc1ccc(S(=O)(=O)NCCc2ccccn2)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
MAPT P10636 1/20 0.67
RAB9A P51151 2/20 0.52
HTT P42858 3/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PKM P14618 1/20 0.47
POLB P06746 1/20 0.45
AKR1C3 P42330 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
Hydrochloric Acid SCHEMBL8445991 0.87 KDM4E (0.51) KDM4EMAPTRAB9AHTTLMNA
SCHEMBL8070556 0.85 MAPT (0.47) KDM4EMAPTHTTTSHRPKM
SCHEMBL8059524 0.81 KDM4E (0.50) KDM4EMAPTHTTLMNAGAA
SCHEMBL29123954 0.81 MAPT (1.00) KDM4EMAPTRAB9AHTTGAA
SCHEMBL8446010 0.79 MAPT (0.42) KDM4EMAPTHTTLMNASMN1; SMN2
SCHEMBL8068849 0.78 ALDH1A1 (0.54) KDM4EMAPTLMNATSHRSMN1; SMN2
SCHEMBL29451605 0.77 KDM4E (0.75) KDM4EMAPTRAB9A
SCHEMBL8068480 0.76 CYP19A1 (0.55) POLBALDH1A1
SCHEMBL8068934 0.76 SIGMAR1 (0.51) KDM4EMAPTLMNAGAASMN1; SMN2
SCHEMBL8446994 0.76 RAB9A (0.53) KDM4EMAPTRAB9ALMNASMN1; SMN2

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-6057322-A USEFUL IN TREATMENT OF CARDIOVASCULAR DISEASES HOECHST AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed