SCHEMBL7785210

SCHEMBL7785210

COc1ccc(C(NCCCc2ccccc2)c2cccc(Nc3c(N)c(=O)c3=O)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.43
KMT2A Q03164 8/20 0.40
MEN1 O00255 4/20 0.40
POLB P06746 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MTNR1A P48039 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
PLAAT3 P53816 1/20 0.35
PLAAT5 Q96KN8 1/20 0.35
PLAAT2 Q9NWW9 1/20 0.35
PLAAT4 Q9UL19 1/20 0.35

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
SCHEMBL7787600 0.94 KMT2A (0.43) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7784907 0.90 SIGMAR1 (0.44) SIGMAR1KMT2AMEN1POLBTDP1
SCHEMBL7785298 0.88 KMT2A (0.44) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7787621 0.85 KMT2A (0.43) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7787489 0.85 ALDH1A1 (0.39) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7780340 0.84 KMT2A (0.42) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7789113 0.84 KMT2A (0.44) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7785275 0.83 ADRB3 (0.46) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7780313 0.81 TDP1 (0.41) KMT2AMEN1POLBTDP1ALDH1A1
SCHEMBL7789152 0.81 SIGMAR1 (0.53) SIGMAR1KMT2AMEN1TDP1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6329405-B1 AS ILEAL BILE ACID TRANSPORTER INHIBITOR, FOR THERAPY OF HYPERLIPEMIA SANKYO COMPANY, LIMITED (JP) 2001-12-11 US disclosed
CN-1287117-A Cyclobutene derivatives, preparation method and therapeutic use thereof SANKYO CO (JP) 2001-03-14 CN disclosed
EP-1070703-A1 Cyclobutene derivatives Sankyo Company Limited (JP) 2001-01-24 EP disclosed