SCHEMBL4047441

SCHEMBL4047441

CCOC(=O)[C@@H](NN)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
MMP8 P22894 2/20 0.55
PIN1 Q13526 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MDM4 O15151 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
MDM2 Q00987 1/20 0.44
TSHR P16473 1/20 0.44
GAA P10253 2/20 0.44
AOC3 Q16853 1/20 0.44

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
SCHEMBL8284231 0.84 SMN1; SMN2 (0.61) SMN1; SMN2MMP8PIN1KMT2AMEN1
SCHEMBL23593786 0.84 KMT2A (0.60) KMT2AMEN1LMNATSHR
SCHEMBL27574237 0.83 SMN1; SMN2 (0.68) SMN1; SMN2MMP8PIN1KMT2AMEN1
SCHEMBL11841853 0.81 SMN1; SMN2 (0.62) SMN1; SMN2MMP8PIN1KMT2AMEN1
SCHEMBL16060720 0.81 CTSL (0.50) SMN1; SMN2KMT2AMEN1CA12CA1
SCHEMBL24661545 0.81 SMN1; SMN2 (0.62) SMN1; SMN2MMP8PIN1KMT2AMEN1
SCHEMBL3937562 0.81 SMN1; SMN2 (0.58) SMN1; SMN2MMP8PIN1KMT2AMEN1
SCHEMBL25870547 0.81 SMN1; SMN2 (0.70) SMN1; SMN2MMP8PIN1KMT2AMEN1
SCHEMBL28510565 0.80 SMN1; SMN2 (0.61) SMN1; SMN2MMP8PIN1KMT2AMEN1
SCHEMBL14401349 0.79 SMN1; SMN2 (0.56) SMN1; SMN2MMP8PIN1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836173-A4 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS LLC (US) 2009-07-08 EP disclosed
EP-1836173-A2 ANTI-INFLAMMATORY MEDICAMENTS Deciphera Pharmaceuticals, LLC (US) 2007-09-26 EP disclosed
WO-2006081034-A2 ANTI-INFLAMMATORY MEDICAMENTS DECIPHERA PHARMACEUTICALS, LLC (US) 2006-08-03 WO disclosed