SCHEMBL8071507

SCHEMBL8071507

CC(=O)Oc1ccc(C#N)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 8/20 0.54
MRGPRX4 Q96LA9 1/20 0.48
TRPV4 Q9HBA0 1/20 0.44
PGR P06401 2/20 0.44
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
ACHE P22303 1/20 0.41
CUL4A Q13619 1/20 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
SCHEMBL28068682 0.87 MRGPRX4 (0.48) ARMRGPRX4LMNAKDM4ECYP3A4
SCHEMBL29042312 0.83 AR (0.48) ARMRGPRX4TRPV4PGR
SCHEMBL3387167 0.83 AR (0.48) ARMRGPRX4TRPV4PGRKDM4E
SCHEMBL27935121 0.81 KDM4E (0.56) ARLMNAKDM4ECYP3A4ACHE
SCHEMBL2733341 0.80 LMNA (0.43) ARLMNAKDM4ECYP3A4ACHE
SCHEMBL14366477 0.80 CYP11B2 (0.46) TRPV4LMNAKDM4ECYP3A4ACHE
SCHEMBL177449 0.79 AR (0.53) ARMRGPRX4TRPV4PGRKDM4E
SCHEMBL2723599 0.79 AR (0.56) ARPGRKDM4E
SCHEMBL474037 0.78 AR (0.52) ARMRGPRX4TRPV4PGR
SCHEMBL11093701 0.78 MRGPRX4 (0.56) ARMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6071953-A Sulfonamide-substituted chromans, processes for their preparation, their use as medicament or diagnostic aid, and medicament comprising them HOECHST AKTIENGESELLSCHAFT (DE) 2000-06-06 US disclosed
EP-0860440-A1 Sulfonamido substituted chromane derivatives with potassium channel blocking activity HOECHST AKTIENGESELLSCHAFT (DE) 1998-08-26 EP disclosed