SCHEMBL8795668

SCHEMBL8795668

CNC(=S)C1=C(O)C(C)(C)Oc2ccc(C#N)cc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.34
ABCB1 P08183 10/20 0.33
KDM4E B2RXH2 1/20 0.33
MALT1 Q9UDY8 1/20 0.32
KCNE1 P15382 3/20 0.31
KCNQ1 P51787 3/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
KCND3 Q9UK17 1/20 0.31

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
SCHEMBL10381355 0.88 ABCB1 (0.35) ABCC9ABCB1KDM4E
SCHEMBL8794704 0.86 ABCB1 (0.33) ABCC9ABCB1KDM4EKCNE1KCNQ1
SCHEMBL8795466 0.85 ALDH1A1 (0.42) ABCC9ABCB1KDM4EMEN1KMT2A
SCHEMBL10438283 0.83 DHODH (0.36) ABCC9MEN1KMT2A
SCHEMBL8795220 0.82 ABCC9 (0.34) ABCC9ABCB1KDM4EMALT1KCNE1
SCHEMBL10438277 0.81 MAPT (0.41) KDM4EMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL9662677 0.79 ABCC9 (0.36) ABCC9ABCB1KDM4EMALT1KCNE1
SCHEMBL8795464 0.79 ABCB1 (0.35) ABCC9ABCB1KDM4ECYP3A4
SCHEMBL8795251 0.76 CXCR1 (0.44) ABCC9ABCB1MEN1KMT2A
SCHEMBL10382337 0.76 ABCB1 (0.34) ABCC9ABCB1KDM4EKCNE1KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990014346-A1 BENZOPYRAN DERIVATIVES BEECHAM GROUP PLC (GB) 1990-11-29 WO claimed
EP-0398665-A1 Benzopyran derivatives Beecham Group p.l.c. (GB) 1990-11-22 EP claimed
EP-0541807-B1 NOVEL BENZOPYRAN DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 1997-12-17 EP disclosed
US-5412117-A Potassium channel activators, antiasmatics, antiepileptics CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-05-02 US disclosed
EP-0541807-A1 NOVEL BENZOPYRAN DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 1993-05-19 EP disclosed
WO-1990014346-A1 BENZOPYRAN DERIVATIVES BEECHAM GROUP PLC (GB) 1990-11-29 WO disclosed
EP-0398665-A1 Benzopyran derivatives Beecham Group p.l.c. (GB) 1990-11-22 EP disclosed
EP-0367296-A2 Ether carboxylate detergent builders THE PROCTER & GAMBLE COMPANY (US) 1990-05-09 EP disclosed
EP-0357280-A2 Soil release agents having allylderived sulfonated end caps THE PROCTER & GAMBLE COMPANY (US) 1990-03-07 EP disclosed