SCHEMBL2747548

SCHEMBL2747548

O=C(N[C@H](C(=O)O)C(Cc1ccccc1)C(=O)O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
SLC1A3 P43003 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MGLL Q99685 2/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL2748936 0.86 SLC1A3 (0.60) NPC1RAB9ASLC1A3
SCHEMBL9450490 0.86 P2RX7 (0.47) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1219646 0.84 MEN1 (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL1219647 0.84 MEN1 (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9069779 0.83 PPARG (0.47) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL3404531 0.82 MEN1 (0.53) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL25477166 0.80 SMN1; SMN2 (0.55) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2748603 0.80 NAALAD2 (0.56) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7796626 0.79 MEN1 (0.50) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2938526 0.79 MMP9 (0.52) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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-8178641-B2 Amino group-containing conjugated diene polymer and method for producing the same, and block copolymer and method for producing the same JSR CORPORATION (JP) 2012-05-15 US disclosed
US-20100267918-A1 AMINO GROUP-CONTAINING CONJUGATED DIENE POLYMER AND METHOD FOR PRODUCING THE SAME, AND BLOCK COPOLYMER AND METHOD FOR PRODUCING THE SAME JSR CORPORATION (JP) 2010-10-21 US disclosed