SCHEMBL8432256

SCHEMBL8432256

N=C(N)Nc1cccc(C(COc2ccccc2)(NC=O)C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 2/20 0.37
MAPK1 P28482 2/20 0.37
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
PLAU P00749 1/20 0.36
RAB9A P51151 3/20 0.36
HTT P42858 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
F10 P00742 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 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 0.79 PLAU (0.38) NPC1MAPTSMN1; SMN2PLAURAB9A
SCHEMBL8432291 0.72 RXFP1 (0.40) NPC1MAPK1MAPTSMN1; SMN2RAB9A
SCHEMBL8429236 0.71 PLAU (0.36) MAPK1MAPTSMN1; SMN2PLAURAB9A
SCHEMBL8534255 0.70 HTT (0.39) NPC1MAPK1MAPTSMN1; SMN2PLAU
Bicarbonate SCHEMBL7469511 0.67 MAPT (0.65) MAPTSMN1; SMN2RAB9AHTTMEN1
SCHEMBL8429456 0.67 RXFP1 (0.44) L3MBTL1MAPTSMN1; SMN2RAB9AHTT
SCHEMBL4028152 0.65 MAPK1 (0.58) MAPK1MEN1KMT2AF10LMNA
SCHEMBL4714552 0.65 PLAU (0.60) NPC1MAPK1MAPTSMN1; SMN2PLAU
SCHEMBL798763 0.65 PPARA (0.42) L3MBTL1NPC1MAPTRAB9AMEN1
Bicarbonate SCHEMBL8492631 0.65 NPC1 (0.61) L3MBTL1NPC1SMN1; SMN2PLAURAB9A

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