SCHEMBL4412917

SCHEMBL4412917

NNC(=O)CCOc1ccc2cc(C(=O)NN)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
MAPT P10636 2/20 0.53
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
HDAC1 Q13547 2/20 0.45
SMYD3 Q9H7B4 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
THRA P10827 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL5698948 0.90 KDM4E (0.50) NPC1MAPTHDAC1THRATP53
SCHEMBL4411549 0.86 CA1 (0.56) NPC1MAPTCA1CA2ALDH1A1
SCHEMBL5693951 0.85 NPC1 (0.56) NPC1MAPTCA1CA2ALDH1A1
SCHEMBL4418967 0.82 MMP3 (0.55) MAPTCA1CA2HDAC1HDAC3
SCHEMBL4411547 0.81 MMP3 (0.54) NPC1MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL4414363 0.80 GAA (0.51) MAPTSMN1; SMN2
SCHEMBL808434 0.79 MPO (0.58) NPC1MAPTCA1CA2HDAC1
SCHEMBL4072168 0.78 CA1 (0.54) NPC1MAPTCA1CA2ALDH1A1
SCHEMBL4411183 0.78 KDM4E (0.58) NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5693970 0.76 CA1 (0.71) NPC1MAPTCA1CA2SMYD3

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
US-7638565-B2 Polyacetal resin composition POLYPLASTICS CO., LTD. (JP) 2009-12-29 US disclosed
US-20070054998-A1 Polyacetal resin composition POLYPLASTICS CO., LTD. (JP) 2007-03-08 US disclosed