SCHEMBL9660965

SCHEMBL9660965

CC1(C)Oc2ccc(C#N)cc2C(N)=C1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ABCB1 P08183 9/20 0.36
MALT1 Q9UDY8 1/20 0.35
ABCC9 O60706 3/20 0.35
KCNE1 P15382 3/20 0.34
KCNQ1 P51787 3/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
KCND3 Q9UK17 1/20 0.34
BACE1 P56817 1/20 0.34
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 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
SCHEMBL9210532 0.82 KDM4E (0.36) KDM4EABCB1MALT1ABCC9KCNE1
SCHEMBL9662677 0.80 ABCC9 (0.36) KDM4EABCB1MALT1ABCC9KCNE1
SCHEMBL9370492 0.77 KDM4E (0.36) KDM4EABCB1MALT1ABCC9KCNE1
SCHEMBL8795220 0.76 ABCC9 (0.34) KDM4EABCB1MALT1ABCC9KCNE1
SCHEMBL8795668 0.76 ABCC9 (0.34) KDM4EABCB1MALT1ABCC9KCNE1
SCHEMBL10381355 0.74 ABCB1 (0.35) KDM4EABCB1ABCC9
SCHEMBL7693373 0.73 KDM4E (0.38) KDM4E
SCHEMBL10990741 0.73 ABCC9 (0.48) ABCB1MALT1ABCC9CYP1A2CYP3A4
SCHEMBL5852754 0.73 MALT1 (0.39) KDM4EABCB1MALT1ABCC9KCNE1
SCHEMBL9354700 0.73 MAPT (0.33) MEN1CYP1A2CYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0488301-A1 New benzopyran compounds with pharmacological activity J. URIACH & CIA. S.A. (ES) 1992-06-03 EP disclosed