SCHEMBL7734817

SCHEMBL7734817

C=CCc1cc(Cl)cc2nc(Cc3ccccc3)oc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ELANE P08246 1/20 0.41
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
LMNA P02545 5/20 0.38
TP53 P04637 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGFR P00533 1/20 0.38
MAPT P10636 4/20 0.38
MGAM O43451 3/20 0.37
POLB P06746 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL7733885 0.86 ESR1 (0.39) ESR1ESR2LMNATP53MAPT
SCHEMBL7733875 0.79 LMNA (0.41) MEN1KMT2AELANELMNATP53
SCHEMBL7734722 0.73 PDE4A (0.41) ALDH1A1
SCHEMBL7724837 0.72 PTK2 (0.41) MEN1KMT2AELANEESR1ESR2
SCHEMBL7737473 0.71 MEN1 (0.39) MEN1KMT2AELANELMNATP53
SCHEMBL7735795 0.70 MAPT (0.45) MEN1KMT2ALMNATP53SMN1; SMN2
SCHEMBL7735662 0.70 NPC1 (0.42) MEN1KMT2ALMNATP53MAPT
SCHEMBL11398067 0.69 SMN1; SMN2 (0.45) MEN1KMT2AELANELMNATP53
SCHEMBL7724834 0.68 L3MBTL1 (0.39) LMNAEGFRMAPTMGAMALDH1A1
SCHEMBL5077628 0.67 LMNA (0.60) LMNATP53SMN1; SMN2EGFRMAPT

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-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US disclosed
EP-0785927-A4 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 1997-12-29 EP disclosed
EP-0785927-A1 NOVEL BENZOXAZOLES Euroceltique S.A. (LU) 1997-07-30 EP disclosed
WO-1996011917-A1 NOVEL BENZOXAZOLES EURO-CELTIQUE, S.A. (LU) 1996-04-25 WO disclosed