SCHEMBL8069713

SCHEMBL8069713

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ABCB1 P08183 7/20 0.34
ABCC9 O60706 4/20 0.34
ABCC8 Q09428 2/20 0.34
KCNJ11 Q14654 2/20 0.34
KCNJ8 Q15842 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2C9 P11712 1/20 0.34
LMNA P02545 1/20 0.34
KCNE1 P15382 3/20 0.33
KCNQ1 P51787 3/20 0.33
MEN1 O00255 1/20 0.33
CYP3A4 P08684 1/20 0.33
KMT2A Q03164 1/20 0.33
KCND3 Q9UK17 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33

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
SCHEMBL8069718 1.00 AKR1B1 (0.36) AKR1B1KDM4EABCB1ABCC9ABCC8
SCHEMBL8069716 1.00 AKR1B1 (0.36) AKR1B1KDM4EABCB1ABCC9ABCC8
SCHEMBL8071780 0.83 ABCC9 (0.37) KDM4EABCB1ABCC9
SCHEMBL8071775 0.83 ABCC9 (0.37) KDM4EABCB1ABCC9
SCHEMBL8071776 0.83 ABCC9 (0.37) KDM4EABCB1ABCC9
SCHEMBL8069766 0.76 TRPV4 (0.36) AKR1B1ABCB1CYP3A4TRPV4
SCHEMBL8060716 0.75 ABCC9 (0.36) AKR1B1ABCC9KCNE1KCNQ1
SCHEMBL8060714 0.75 ABCC9 (0.36) AKR1B1ABCC9KCNE1KCNQ1
SCHEMBL8060720 0.75 ABCC9 (0.36) AKR1B1ABCC9KCNE1KCNQ1
SCHEMBL10642982 0.74 KDM4E (0.60) KDM4EABCB1ABCC9ABCC8KCNJ11

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