SCHEMBL8045191

SCHEMBL8045191

CCCn1nnc(Sc2nc3ccccc3s2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 2/20 0.48
ALDH1A1 P00352 7/20 0.46
MAPT P10636 6/20 0.46
HPGD P15428 5/20 0.46
MAPK1 P28482 5/20 0.46
LMNA P02545 5/20 0.46
TSHR P16473 5/20 0.46
HSD17B10 Q99714 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 4/20 0.46
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
CYP3A4 P08684 2/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 2/20 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
SCHEMBL8046519 0.93 HSP90AA1 (0.49) FBP1ALDH1A1MAPTHPGDMAPK1
SCHEMBL8041981 0.90 FBP1 (0.50) FBP1ALDH1A1MAPTHPGDMAPK1
SCHEMBL8048727 0.85 CYP1A2 (0.43) FBP1ALDH1A1MAPTHPGDMAPK1
SCHEMBL8042675 0.82 ALDH1A1 (0.51) FBP1ALDH1A1MAPTHPGDMAPK1
SCHEMBL8041887 0.82 HSP90AA1 (0.47) ALDH1A1MAPTHPGDMAPK1LMNA
SCHEMBL8052354 0.82 L3MBTL1 (0.46) FBP1ALDH1A1MAPTHPGDMAPK1
SCHEMBL8043224 0.81 SMN1; SMN2 (0.44) ALDH1A1MAPTHPGDLMNASMN1; SMN2
SCHEMBL8047172 0.81 SMN1; SMN2 (0.44) ALDH1A1MAPTHPGDLMNAHSD17B10
SCHEMBL8046659 0.80 PDK1 (0.54) ALDH1A1MAPTMAPK1LMNATSHR
SCHEMBL8043551 0.80 SMN1; SMN2 (0.51) FBP1ALDH1A1MAPTHPGDMAPK1

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-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed