SCHEMBL8060716

SCHEMBL8060716

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.36
KCNE1 P15382 4/20 0.33
KCNQ1 P51787 4/20 0.33
AKR1B1 P15121 1/20 0.33
KDM1A O60341 2/20 0.32
KDM1B Q8NB78 1/20 0.32

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
SCHEMBL8060720 1.00 ABCC9 (0.36) ABCC9KCNE1KCNQ1AKR1B1KDM1A
SCHEMBL8060714 1.00 ABCC9 (0.36) ABCC9KCNE1KCNQ1AKR1B1KDM1A
SCHEMBL8071780 0.78 ABCC9 (0.37) ABCC9
SCHEMBL8071776 0.78 ABCC9 (0.37) ABCC9
SCHEMBL8071775 0.78 ABCC9 (0.37) ABCC9
SCHEMBL8069713 0.75 AKR1B1 (0.36) ABCC9KCNE1KCNQ1AKR1B1
SCHEMBL8069716 0.75 AKR1B1 (0.36) ABCC9KCNE1KCNQ1AKR1B1
SCHEMBL8069718 0.75 AKR1B1 (0.36) ABCC9KCNE1KCNQ1AKR1B1
SCHEMBL8069749 0.74 KDM1A (0.33) ABCC9AKR1B1KDM1AKDM1B
SCHEMBL8069942 0.73 TLR3 (0.41) AKR1B1KDM1AKDM1B

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