SCHEMBL8429236

SCHEMBL8429236

N=C(N)Nc1cccc(C(Oc2ccccc2)(C(=O)O)C(N)C=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 5/20 0.36
HTT P42858 4/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 2/20 0.36
PKM P14618 1/20 0.36
MITF O75030 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.34
F2 P00734 1/20 0.34
PLG P00747 1/20 0.34
PLAT P00750 1/20 0.34
KLKB1 P03952 1/20 0.34
PRSS1 P07477 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33

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
SCHEMBL8429105 0.78 PLAU (0.38) PLAUHTTMAPTMEN1KMT2A
SCHEMBL8534255 0.75 HTT (0.39) PLAUHTTMAPTMEN1KMT2A
SCHEMBL8432256 0.71 L3MBTL1 (0.38) PLAUHTTMAPTMEN1KMT2A
SCHEMBL8432291 0.68 RXFP1 (0.40) HTTMAPTKMT2ARAB9ALMNA
Bicarbonate SCHEMBL7469511 0.68 MAPT (0.65) HTTMAPTMEN1KMT2ARAB9A
SCHEMBL4714552 0.66 PLAU (0.60) PLAUHTTMAPTMEN1KMT2A
Bicarbonate SCHEMBL8492631 0.65 NPC1 (0.61) PLAUMEN1KMT2ARAB9AALDH1A1
Bicarbonate SCHEMBL27820322 0.65 NPC1 (0.61) PLAUMEN1KMT2ARAB9AALDH1A1
SCHEMBL16450915 0.64 HDAC8 (0.53) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL1999954 0.64 ALDH1A1 (0.61) HTTMAPTMEN1KMT2ARAB9A

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
US-5952381-A SELECTIVELY INHIBITING OR ANTAGONIZING THE INTEGRINS; ANTITUMOR AGENTS, ANTIARTHRITIC AGENTS, VIRICIDES, MICROBIOCIDES; TREATING OSTEOPOROSIS, SKIN DISORDERS G. D. SEARLE & CO. (US) 1999-09-14 US disclosed