SCHEMBL8920573

SCHEMBL8920573

CC(=O)NC(C=O)(c1ccncc1)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.49
USP2 O75604 1/20 0.49
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
TAAR1 Q96RJ0 1/20 0.45
MAPK14 Q16539 2/20 0.41
LTA4H P09960 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
XBP1 P17861 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTGS2 P35354 1/20 0.39
TP53 P04637 1/20 0.39
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
POLB P06746 1/20 0.37

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
SCHEMBL8920378 0.86 HTT (0.42) KMT2ATAAR1HTTSMN1; SMN2TP53
SCHEMBL8920367 0.77 ALDH1A1 (0.49) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL10767261 0.72 USP2 (0.66) RAB9AUSP2MEN1KMT2ATAAR1
SCHEMBL25840311 0.70 KMT2A (0.44) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL13626314 0.70 MEN1 (0.49) RAB9AMEN1KMT2AL3MBTL1NPC1
Bromide SCHEMBL8121179 0.68 USP2 (0.55) RAB9AUSP2MEN1KMT2ATAAR1
SCHEMBL11684104 0.68 USP2 (0.70) RAB9AUSP2MEN1KMT2ATAAR1
SCHEMBL2309836 0.67 USP2 (1.00) RAB9AUSP2MEN1KMT2ATAAR1
Acetic Acid SCHEMBL29241773 0.66 LTA4H (0.56) RAB9AUSP2MEN1KMT2ATAAR1
SCHEMBL11681426 0.65 USP2 (0.66) RAB9AUSP2MEN1KMT2ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727998-A4 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORP (US) 1997-03-19 EP disclosed
EP-0727998-A1 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1996-08-28 EP disclosed
WO-1995013067-A1 OXAZOLES FOR TREATING CYTOKINE MEDIATED DISEASES SMITHKLINE BEECHAM CORPORATION (US) 1995-05-18 WO disclosed