SCHEMBL8534255

SCHEMBL8534255

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PLAU P00749 3/20 0.39
KIF11 P52732 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 6/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
F13A1 P00488 1/20 0.36
TGM2 P21980 1/20 0.36
NPC1 O15118 1/20 0.35
NLRP3 Q96P20 1/20 0.35
PTGS1 P23219 1/20 0.35
POLB P06746 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 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
SCHEMBL8429105 0.86 PLAU (0.38) HTTMAPTRAB9AMEN1KMT2A
SCHEMBL8429236 0.75 PLAU (0.36) HTTMAPTRAB9AMEN1KMT2A
SCHEMBL8432291 0.73 RXFP1 (0.40) HTTMAPTRAB9AKMT2ARXFP1
Bicarbonate SCHEMBL7469511 0.71 MAPT (0.65) HTTMAPTRAB9AMEN1KMT2A
SCHEMBL8432256 0.70 L3MBTL1 (0.38) HTTMAPTRAB9AMEN1KMT2A
SCHEMBL4714552 0.69 PLAU (0.60) HTTMAPTRAB9AMEN1KMT2A
Bicarbonate SCHEMBL8492631 0.68 NPC1 (0.61) RAB9AMEN1KMT2APLAURXFP1
Bicarbonate SCHEMBL27820322 0.68 NPC1 (0.61) RAB9AMEN1KMT2APLAURXFP1
SCHEMBL16450915 0.67 HDAC8 (0.53) HTTMAPTMEN1KMT2ARXFP1
SCHEMBL1999954 0.67 ALDH1A1 (0.61) HTTMAPTRAB9AMEN1KMT2A

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-5773646-A INTEGRIN INHIBITORS G. D. SEARLE & CO. (US) 1998-06-30 US disclosed