SCHEMBL8009873

SCHEMBL8009873

Cc1cccc(NCc2ccccc2)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
HSD17B10 Q99714 2/20 0.50
KMT2A Q03164 2/20 0.50
PLK1 P53350 2/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
TRPM4 Q8TD43 1/20 0.50
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
HPGD P15428 3/20 0.49
POLB P06746 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49
ADRA2C P18825 1/20 0.49
KDM6B O15054 1/20 0.47
KDM4A O75164 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
KDM4C Q9H3R0 1/20 0.47

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
SCHEMBL1715510 0.88 ADRA2C (0.63) KDM4EKMT2APLK1POLBL3MBTL1
Bicarbonate SCHEMBL29049243 0.82 HSD17B10 (0.58) HSD17B10KMT2AHDAC1HDAC8HDAC6
SCHEMBL1903512 0.81 KDM4E (0.50) KDM4EKMT2APLK1HDAC1HDAC8
Oxalic Acid SCHEMBL29049203 0.81 HSD17B10 (0.56) HSD17B10KMT2AHDAC1HDAC8HDAC6
SCHEMBL12427631 0.81 PLK1 (0.67) KDM4EHSD17B10KMT2APLK1HDAC1
Acetic Acid SCHEMBL29049224 0.81 HSD17B10 (0.56) HSD17B10KMT2AHDAC1HDAC8HDAC6
Phthalic Acid SCHEMBL29049255 0.80 KMT2A (0.61) KDM4EHSD17B10KMT2APLK1HPGD
SCHEMBL30358562 0.80 CA12 (0.57) HSD17B10KMT2APLK1HDAC1HDAC8
Benzoic Acid SCHEMBL29049235 0.80 HSD17B10 (0.56) HSD17B10KMT2AHDAC1HDAC8HDAC6
Terephthalic Acid SCHEMBL29049219 0.80 HSD17B10 (0.60) HSD17B10KMT2AHDAC1HDAC8HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000027394-A1 ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE UNIVERSITY COLLEGE LONDON (GB) 2000-05-18 WO disclosed