SCHEMBL10753138

SCHEMBL10753138

C=CCNC1=CC(=O)c2c(O)ccc(NCC=C)c2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
BLM P54132 5/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 4/20 0.41
RECQL P46063 4/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
USP2 O75604 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
GAA P10253 3/20 0.41
POLB P06746 2/20 0.41
TXNRD1 Q16881 2/20 0.41
THRB P10828 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 4/20 0.40

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
SCHEMBL10754151 0.94 CYP19A1 (0.41) CYP19A1KMT2AMEN1BLMALDH1A1
SCHEMBL10883313 0.91 KMT2A (0.49) CYP19A1KMT2AMEN1BLMALDH1A1
SCHEMBL1478995 0.84 CYP19A1 (0.57) CYP19A1KMT2AMEN1BLMALDH1A1
SCHEMBL11046399 0.84 CYP19A1 (0.57) CYP19A1KMT2AMEN1BLMALDH1A1
SCHEMBL1906406 0.77 KMT2A (0.56) CYP19A1KMT2AMEN1BLMALDH1A1
SCHEMBL10895797 0.70 BLM (0.50) CYP19A1KMT2AMEN1BLMALDH1A1
SCHEMBL5420918 0.69 KMT2A (0.57) KMT2AMEN1BLMALDH1A1MAPK1
SCHEMBL10894911 0.69 BLM (0.50) CYP19A1KMT2AMEN1BLMALDH1A1
SCHEMBL2531942 0.67 MAOA (0.58) KMT2AMEN1BLMALDH1A1MAPK1
SCHEMBL30587670 0.67 MAOA (0.58) KMT2AMEN1BLMALDH1A1MAPK1

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
JP-62059668-A None JP disclosed
JP-S6259668-A NAPHTHALENE DERIVATIVE SHISEIDO CO LTD 1987-03-16 JP disclosed