SCHEMBL3862048

SCHEMBL3862048

O=Cc1ccc[nH]1.O=Cc1ncccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.36
MAPT P10636 5/20 0.36
ALDH1A1 P00352 2/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
JAK3 P52333 4/20 0.33
KDR P35968 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
RET P07949 2/20 0.33
PDGFRB P09619 2/20 0.33
FLT3 P36888 2/20 0.33

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
SCHEMBL10141196 0.83
SCHEMBL19596 0.83
SCHEMBL10141206 0.83
Hydrochloric Acid SCHEMBL28194910 0.81
Bromide SCHEMBL17747828 0.81
SCHEMBL27449483 0.81
Ethyne SCHEMBL7797558 0.79
Pyridine SCHEMBL28087033 0.78 MAPT (0.43) MAPTALDH1A1RAB9ALMNAGRIN2D
SCHEMBL6938254 0.78 TLK2 (0.38) KMT2AMAPTALDH1A1RAB9ALMNA
Methyl Alcohol SCHEMBL11864407 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435962-A4 TREATMENT OF TYPE I DIABETES CELL PATHWAYS INC (US) 2009-04-15 EP disclosed
EP-1435961-A4 TREATMENT FOR LUPUS ERYTHEMATOSUS CELL PATHWAYS INC (US) 2005-04-20 EP disclosed
EP-1435940-A4 TREATMENT OF SCLERODERMA CELL PATHWAYS INC (US) 2005-04-20 EP disclosed
EP-1435962-A2 TREATMENT OF TYPE I DIABETES Cell Pathways, Inc. (US) 2004-07-14 EP disclosed
EP-1435782-A1 TREATMENT FOR CYSTIC FIBROSIS Cell Pathways, Inc. (US) 2004-07-14 EP disclosed
EP-1435961-A2 TREATMENT FOR LUPUS ERYTHEMATOSUS Cell Pathways, Inc. (US) 2004-07-14 EP disclosed
EP-1435940-A1 TREATMENT OF SCLERODERMA Cell Pathways, Inc. (US) 2004-07-14 EP disclosed
WO-2003017925-A2 TREATMENT OF TYPE I DIABETES CELL PATHWAYS, INC. (US) 2003-03-06 WO disclosed
WO-2003017765-A1 TREATMENT FOR CYSTIC FIBROSIS CELL PATHWAYS, INC. (US) 2003-03-06 WO disclosed
WO-2003017926-A2 TREATMENT FOR LUPUS ERYTHEMATOSUS CELL PATHWAYS, INC. (US) 2003-03-06 WO disclosed
WO-2003017999-A1 TREATMENT OF SCLERODERMA CELL PATHWAYS, INC. (US) 2003-03-06 WO disclosed
WO-2002067936-A1 METHODS FOR TREATMENT OF INFLAMMATORY BOWEL DISEASE CELL PATHWAYS, INC. (US) 2002-09-06 WO disclosed
EP-1044187-A1 N-BENZYL-3-INDENYLACETAMIDES DERIVATIVES FOR TREATING NEOPLASIA OSI Pharmaceuticals, Inc. (US) 2000-10-18 EP disclosed
WO-1999031065-A1 N-BENZYL-3-INDENYLACETAMIDES DERIVATIVES FOR TREATING NEOPLASIA CELL PATHWAYS, INC. (US) 1999-06-24 WO disclosed