SCHEMBL8071776

SCHEMBL8071776

CC1(C)Oc2cc(Cl)c(C#N)cc2[C@H](Br)[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 13/20 0.37
KDM4E B2RXH2 1/20 0.35
ABCB1 P08183 3/20 0.34
AR P10275 2/20 0.34

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
SCHEMBL8071780 1.00 ABCC9 (0.37) ABCC9KDM4EABCB1AR
SCHEMBL8071775 1.00 ABCC9 (0.37) ABCC9KDM4EABCB1AR
SCHEMBL8069716 0.83 AKR1B1 (0.36) ABCC9KDM4EABCB1
SCHEMBL8069718 0.83 AKR1B1 (0.36) ABCC9KDM4EABCB1
SCHEMBL8069713 0.83 AKR1B1 (0.36) ABCC9KDM4EABCB1
SCHEMBL8060714 0.78 ABCC9 (0.36) ABCC9
SCHEMBL8060720 0.78 ABCC9 (0.36) ABCC9
SCHEMBL8060716 0.78 ABCC9 (0.36) ABCC9
SCHEMBL8071529 0.76 ABCB1 (0.33) ABCC9ABCB1
SCHEMBL8076721 0.75 TLR3 (0.39) ABCC9AR

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