SCHEMBL8501942

SCHEMBL8501942

CCOc1cc2ncc(-c3csc(F)c3)nc2cc1OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NPC1 O15118 4/20 0.39
KDM4E B2RXH2 1/20 0.39
RAB9A P51151 3/20 0.36
PDGFRB P09619 2/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
PDPK1 O15530 1/20 0.34
EGFR P00533 5/20 0.33
LMNA P02545 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDGFRA P16234 1/20 0.33
ERBB2 P04626 1/20 0.32
APP P05067 2/20 0.32
FGFR1 P11362 1/20 0.32

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
SCHEMBL8501519 0.84 MAPT (0.43) MAPTSMN1; SMN2ALDH1A1GLAGAA
SCHEMBL8503044 0.79 MAPT (0.52) MAPTSMN1; SMN2ALDH1A1GLAGAA
SCHEMBL8501745 0.77 MAPT (0.40) MAPTSMN1; SMN2ALDH1A1GLAGAA
SCHEMBL8499898 0.77 PDGFRB (0.52) MAPTSMN1; SMN2ALDH1A1GLAGAA
Hydrochloric Acid SCHEMBL8562767 0.76 PDGFRB (0.51) MAPTSMN1; SMN2ALDH1A1GLAGAA
SCHEMBL8502367 0.76 SMN1; SMN2 (0.72) MAPTSMN1; SMN2ALDH1A1GLAGAA
Hydrochloric Acid SCHEMBL8504094 0.74 SMN1; SMN2 (0.70) MAPTSMN1; SMN2ALDH1A1GLAGAA
SCHEMBL8500124 0.71 NPC1 (0.68) MAPTSMN1; SMN2ALDH1A1GLAGAA
SCHEMBL8502361 0.69 ALDH1A1 (0.58) MAPTSMN1; SMN2ALDH1A1GLAGAA
SCHEMBL8499837 0.69 PDGFRB (0.53) MAPTSMN1; SMN2ALDH1A1GLAGAA

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 2 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-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