SCHEMBL8501745

SCHEMBL8501745

CCOc1cc2ncc(-c3ccc(F)s3)nc2cc1OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GLA P06280 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 3/20 0.40
KDM4E B2RXH2 2/20 0.37
PDGFRB P09619 5/20 0.36
PDGFRA P16234 3/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TLR8 Q9NR97 1/20 0.35
PDPK1 O15530 2/20 0.35
EGFR P00533 3/20 0.34
PDE10A Q9Y233 1/20 0.34
FLT3 P36888 2/20 0.34
KDR P35968 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL8499837 0.83 PDGFRB (0.53) MAPTSMN1; SMN2GLAALDH1A1GAA
Hydrochloric Acid SCHEMBL8563702 0.82 PDGFRB (0.52) MAPTSMN1; SMN2GLAALDH1A1GAA
SCHEMBL8500124 0.78 NPC1 (0.68) MAPTSMN1; SMN2GLAALDH1A1GAA
SCHEMBL8503044 0.77 MAPT (0.52) MAPTSMN1; SMN2GLAALDH1A1GAA
SCHEMBL8501942 0.77 MAPT (0.43) MAPTSMN1; SMN2GLAALDH1A1GAA
SCHEMBL8502367 0.74 SMN1; SMN2 (0.72) MAPTSMN1; SMN2GLAALDH1A1GAA
Hydrochloric Acid SCHEMBL8504094 0.72 SMN1; SMN2 (0.70) MAPTSMN1; SMN2GLAALDH1A1GAA
SCHEMBL8499898 0.72 PDGFRB (0.52) MAPTSMN1; SMN2GLAALDH1A1GAA
Hydrochloric Acid SCHEMBL8562767 0.71 PDGFRB (0.51) MAPTSMN1; SMN2GLAALDH1A1GAA
SCHEMBL8500901 0.69 PDGFRB (0.71) MAPTSMN1; SMN2GLAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE36256-E ADMINISTERING ARYL-SUBSTITUTED QUINOXALINE DERIVATIVES AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-20 US claimed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US claimed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US claimed
US-RE36256-E ADMINISTERING ARYL-SUBSTITUTED QUINOXALINE DERIVATIVES AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-20 US disclosed
US-5795889-A INHIBITING CELL GROWTH WITH ENZYME INHIBITORS FOR SKIN DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-08-18 US disclosed
US-5646153-A INHIBITING ABNORMAL CELL PROLIFERATION RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-08 US disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US disclosed