SCHEMBL8042593

SCHEMBL8042593

O=C(O)c1sc(Sc2nnnn2Cc2ccccc2)nc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 14/20 0.47
LMNA P02545 4/20 0.47
TSHR P16473 3/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
PKM P14618 2/20 0.46
GAA P10253 2/20 0.46
MAPK1 P28482 2/20 0.45
HTT P42858 4/20 0.45
HPGD P15428 4/20 0.42
MAPT P10636 3/20 0.42
PPARG P37231 1/20 0.42
NCOA2 Q15596 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
RECQL P46063 1/20 0.41
RGS12 O14924 1/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8042294 0.90 ALDH1A1 (0.38) ALDH1A1LMNATSHRRAB9AMEN1
SCHEMBL8051135 0.86 L3MBTL1 (0.39) ALDH1A1LMNATSHRGAAMAPK1
SCHEMBL8043982 0.85 ALDH1A1 (0.47) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL8033964 0.83 SMN1; SMN2 (0.39) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL8033786 0.83 MAPT (0.39) ALDH1A1LMNATSHRKMT2AMAPK1
SCHEMBL8042297 0.82 ALDH1A1 (0.40) ALDH1A1LMNATSHRMEN1KMT2A
SCHEMBL8033927 0.81 NPSR1 (0.40) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL8052295 0.80 RAB9A (0.40) ALDH1A1LMNARAB9AHTTMAPT
SCHEMBL8044620 0.80 ALDH1A1 (0.47) ALDH1A1LMNATSHRRAB9AMEN1
SCHEMBL8043580 0.80 HTT (0.43) ALDH1A1LMNATSHRMEN1KMT2A

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 1 patent. 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