SCHEMBL7703699

SCHEMBL7703699

O=C(Nc1ccc(-c2oc(-c3ccccc3)nc2C(=O)NCc2ccccc2C(F)(F)F)cc1)c1cccnc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
USP2 O75604 2/20 0.49
KDM4E B2RXH2 5/20 0.46
MAPT P10636 4/20 0.46
HSD17B10 Q99714 4/20 0.46
GAA P10253 1/20 0.46
HTT P42858 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 2/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL7700202 0.92 EPHX2 (0.52) NPC1RAB9AHSD17B10MEN1KMT2A
SCHEMBL7699756 0.91 EPHX2 (0.48) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL7701384 0.87 EPHX2 (0.51) ALDH1A1SMN1; SMN2HPGDCYP1A2CYP3A4
SCHEMBL7700128 0.87 EPHX2 (0.49) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL7701450 0.86 EPHX2 (0.48) ALDH1A1SMN1; SMN2MAPTGAANPSR1
SCHEMBL7693795 0.85 KDM4E (0.51) ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7701962 0.85 TAOK1 (0.54) SMN1; SMN2MAPTPOLBEPHX2DGAT1
SCHEMBL7705421 0.85 CNR1 (0.50) TRPV1EPHX2PTGESCNR1CNR2
SCHEMBL7696456 0.85 MAPT (0.51) RAB9ALMNAMAPTMEN1KMT2A
SCHEMBL7693770 0.84 TSHR (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA

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
WO-2002064558-A2 OXAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS CYTOKINE INHIBITORS SANKYO COMPANY, LIMITED (JP) 2002-08-22 WO disclosed