SCHEMBL6204083

SCHEMBL6204083

CC1(O)Oc2ccccc2C1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 1/20 0.38
KCNQ1 P51787 1/20 0.38
ABCB1 P08183 1/20 0.37
CYP2C9 P11712 1/20 0.37
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
PKM P14618 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.35
EDNRA P25101 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 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
SCHEMBL19852540 0.84 KCNE1 (0.44) KCNE1KCNQ1ABCB1CYP2C9ATM
SCHEMBL7760656 0.81 KCNE1 (0.37) KCNE1KCNQ1ABCB1CYP2C9ATM
SCHEMBL28400315 0.79 HTT (0.40) KCNE1KCNQ1CYP2C9SMN1; SMN2GAA
SCHEMBL11317481 0.74 KCNE1 (0.38) KCNE1KCNQ1ABCB1ATMGAA
SCHEMBL16291560 0.73 CYP3A4 (0.35) ABCB1CYP2C9ATMGAAPKM
SCHEMBL5511497 0.71 KCNE1 (0.37) KCNE1KCNQ1ABCB1CYP2C9ATM
SCHEMBL19839249 0.70 ABCB1 (0.43) KCNE1KCNQ1ABCB1CYP2C9GAA
SCHEMBL27815869 0.70 TRPV1 (0.41) GAAPKMMEN1KMT2ALMNA
SCHEMBL297734 0.67 KCNE1 (0.36) KCNE1KCNQ1ABCB1CYP2C9ATM
SCHEMBL23655243 0.66 POLB (0.44) ATMSMN1; SMN2GAAMEN1USP2

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
EP-1515975-A1 BENZOFUSED HETEROARYL AMIDE DERIVATIVES OF THIENOPYRIDINES USEFUL AS THERAPEUTIC AGENTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS FOR THEIR USE PFIZER INC. (US) 2005-03-23 EP disclosed
WO-2003106462-A1 BENZOFUSED HETEROARYL AMIDE DERIVATIVES OF THIENOPYRIDINES USEFUL AS THERAPEUTIC AGENTS, PHARMACEUTICAL COMPOSITIONS INCLUDING THE SAME, AND METHODS FOR THEIR USE PFIZER INC. (US) 2003-12-24 WO disclosed