SCHEMBL16802910

SCHEMBL16802910

CCc1ccc(NC(=O)NN)cc1NC(=O)NNC(=O)Nc1ccc(C)c(NC(=O)NN)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ ATM Q13315 1/20 0.46
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ IDH1 O75874 1/20 0.42
▸ POLB P06746 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ DDX3X O00571 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.39

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
SCHEMBL10330128 0.90 MAPT (0.54) MAPTKMT2AMEN1LMNAATM
SCHEMBL10330604 0.86 MAPT (0.57) MAPTKMT2AMEN1LMNAATM
SCHEMBL10695262 0.77 MAPT (0.49) MAPTKMT2AMEN1LMNAATM
SCHEMBL16802880 0.74 MAPT (0.46) MAPTKMT2AMEN1LMNAATM
SCHEMBL28599104 0.73 POLB (0.61) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL7523145 0.73 EPHX2 (0.51) KMT2AMEN1LMNANPC1RAB9A
SCHEMBL13411694 0.72 MAPT (0.59) MAPTKMT2AMEN1LMNAATM
SCHEMBL2330120 0.72 CA12 (0.56) MAPTKMT2AMEN1LMNANPC1
SCHEMBL12808274 0.72 POLB (0.44) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL18063667 0.71 MAPT (0.58) MAPTKMT2AMEN1LMNAATM

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-2483324-B1 METHOD FOR LOWERING EMISSIONS OF A POLYURETHANE FOAM BAYER IP GMBH (DE) 2015-06-17 — — EP disclosed
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