SCHEMBL4733035

SCHEMBL4733035

COc1ccc(CNC2CCN(C(=O)O)CC2)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.54
MEN1 O00255 5/20 0.54
TSHR P16473 1/20 0.52
ALDH1A1 P00352 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
POLB P06746 2/20 0.49
APLNR P35414 1/20 0.49
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
SIGMAR1 Q99720 1/20 0.47
DPP7 Q9UHL4 1/20 0.47

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
SCHEMBL1198337 0.87 KDM4C (0.46) KMT2AMEN1TSHRALDH1A1TDP1
SCHEMBL27003454 0.86 KMT2A (0.57) KMT2AMEN1TSHRALDH1A1KDM4E
SCHEMBL4732973 0.85 EPHX2 (0.61) KMT2AMEN1TSHRALDH1A1TDP1
SCHEMBL1198634 0.84 KDM4C (0.49) KMT2AMEN1TSHRALDH1A1TDP1
SCHEMBL4733093 0.84 TSHR (0.57) KMT2AMEN1TSHRALDH1A1TDP1
SCHEMBL29114695 0.83 TSHR (0.66) KMT2AMEN1TSHRALDH1A1TDP1
Hydrochloric Acid SCHEMBL31580079 0.82 TSHR (0.64) KMT2AMEN1TSHRALDH1A1TDP1
SCHEMBL27415157 0.82 ALDH1A1 (0.54) KMT2AMEN1TSHRALDH1A1TDP1
SCHEMBL28611807 0.82 ALDH1A1 (0.54) KMT2AMEN1TSHRALDH1A1TDP1
SCHEMBL3919386 0.81 TSHR (0.71) KMT2AMEN1TSHRALDH1A1TDP1

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
WO-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed