SCHEMBL8925027

SCHEMBL8925027

O=C(CBr)c1cccc(N2CCCC2C(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD11B1 P28845 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.37
OGFRL1 Q5TC84 1/20 0.36
BCL6 P41182 1/20 0.36
ADRA1A P35348 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
MMP8 P22894 1/20 0.36
MMP12 P39900 1/20 0.36
MMP13 P45452 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL25272332 0.79 KMT2A (0.46) KMT2ASMN1; SMN2HSD11B1ALDH1A1HPGD
SCHEMBL21723552 0.78 KMT2A (0.46) KMT2ASMN1; SMN2HSD11B1ALDH1A1HPGD
SCHEMBL21723551 0.78 KMT2A (0.46) KMT2ASMN1; SMN2HSD11B1ALDH1A1HPGD
SCHEMBL2638702 0.75 ELANE (0.49) HSD11B1OGFRL1KDM4EPOLBTDP1
SCHEMBL2638698 0.75 ELANE (0.49) HSD11B1OGFRL1KDM4EPOLBTDP1
SCHEMBL25228050 0.75 SPHK1 (0.44) KMT2ASMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL29220879 0.74 KMT2A (0.54) KMT2ASMN1; SMN2HSD11B1
SCHEMBL29220881 0.74 KMT2A (0.54) KMT2ASMN1; SMN2HSD11B1
SCHEMBL21853236 0.72 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL21853250 0.72 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2ALDH1A1HPGDHSD17B10

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-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed