SCHEMBL8042294

SCHEMBL8042294

O=C(O)c1sc(Sc2nnnn2CCc2ccccc2)nc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 1/20 0.36
POLB P06746 2/20 0.36
FLT1 P17948 1/20 0.36
KDR P35968 1/20 0.36
HPGD P15428 1/20 0.36
PKM P14618 2/20 0.36
GAA P10253 2/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 1/20 0.35
GRN P28799 1/20 0.35
SORT1 Q99523 1/20 0.35
MAPK1 P28482 1/20 0.35
CASR P41180 1/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL8042593 0.90 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL8033927 0.84 NPSR1 (0.40) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL8043580 0.82 HTT (0.43) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL8033786 0.82 MAPT (0.39) ALDH1A1KMT2ATSHRLMNAHPGD
SCHEMBL8033964 0.82 SMN1; SMN2 (0.39) ALDH1A1MEN1KMT2ALMNARAB9A
SCHEMBL8043982 0.81 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATSHRLMNA
SCHEMBL8048326 0.81 TP53 (0.37) ALDH1A1MEN1KMT2ARAB9APOLB
SCHEMBL8051135 0.80 L3MBTL1 (0.39) ALDH1A1TSHRLMNAPOLBGAA
SCHEMBL8043236 0.80 UBE2M (0.35) ALDH1A1HTT
SCHEMBL8051249 0.79 RAB9A (0.35) ALDH1A1LMNARAB9APOLBHPGD

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