SCHEMBL6983111

SCHEMBL6983111

[3H]N(C([NH])=O)c1cccc(C(C)=O)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MEN1 O00255 4/20 0.56
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MAPK1 P28482 2/20 0.50
HTT P42858 1/20 0.50
CREBBP Q92793 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
POLB P06746 1/20 0.49
CYP1A2 P05177 1/20 0.49
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL6834057 0.84 KMT2A (0.66) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1
SCHEMBL279656 0.77 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1
SCHEMBL7877536 0.77 KMT2A (0.66) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1
SCHEMBL5974770 0.77 KMT2A (0.73) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1
SCHEMBL28673562 0.77 KMT2A (0.71) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1
SCHEMBL16433566 0.76 KMT2A (0.57) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1
SCHEMBL30478066 0.76 ALDH1A1 (0.66) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1
SCHEMBL474709 0.76 KMT2A (0.70) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1
SCHEMBL5340030 0.76 MEN1 (0.89) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1
SCHEMBL14641620 0.76 KMT2A (0.65) KMT2AMEN1ALDH1A1SMN1; SMN2TDP1

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
EP-1296978-A2 N-UREIDOHETEROCYCLOAKLYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2003-04-02 EP disclosed
WO-2002002525-A2 N-UREIDOHETEROCYCLOAKLYL-PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-01-10 WO disclosed