SCHEMBL8987291

SCHEMBL8987291

O=C(CC(=O)c1ccccc1F)Nc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.62
ERCC5 P28715 1/20 0.62
FEN1 P39748 1/20 0.62
KMT2A Q03164 5/20 0.57
NPC1 O15118 4/20 0.57
MEN1 O00255 3/20 0.57
RAB9A P51151 3/20 0.57
TDP1 Q9NUW8 1/20 0.56
LMNA P02545 2/20 0.51
POLB P06746 1/20 0.51
F2R P25116 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 1/20 0.49
KDM1A O60341 1/20 0.49
EPHX2 P34913 1/20 0.49
MAPT P10636 2/20 0.47
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
TP53 P04637 1/20 0.47
NFKB1 P19838 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
SCHEMBL20508992 0.81 PTPN1 (0.74) PTPN1ERCC5FEN1KMT2ANPC1
SCHEMBL5691811 0.80 PTPN1 (0.72) PTPN1ERCC5FEN1KMT2ANPC1
SCHEMBL11197457 0.79 ERCC5 (0.62) ERCC5FEN1KMT2ANPC1MEN1
SCHEMBL4363732 0.78 MEN1 (0.89) KMT2ANPC1MEN1RAB9ATDP1
SCHEMBL1689206 0.77 EPHX2 (0.68) KMT2AMEN1POLBSMN1; SMN2HTT
SCHEMBL8987230 0.76 KMT2A (0.63) KMT2ANPC1MEN1RAB9ATDP1
SCHEMBL9775157 0.76 PTPN1 (0.57) PTPN1ERCC5FEN1KMT2ANPC1
SCHEMBL1098345 0.76 RAB9A (0.77) PTPN1ERCC5FEN1KMT2ANPC1
SCHEMBL11572863 0.76 RAB9A (0.71) KMT2ANPC1MEN1RAB9ATDP1
SCHEMBL8641263 0.76 NPC1 (0.65) KMT2ANPC1MEN1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed