SCHEMBL8046719

SCHEMBL8046719

Cc1csc(Sc2nnnn2C2CCCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.46
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
L3MBTL1 Q9Y468 4/20 0.44
TSHR P16473 4/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 2/20 0.43
LMNA P02545 4/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 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
SCHEMBL8046056 0.79 ALDH1A1 (0.51) ALDH1A1HPGDTDP1KDM4EALOX15
SCHEMBL8044352 0.77 L3MBTL1 (0.55) ALDH1A1HPGDTDP1KDM4EALOX15
SCHEMBL8044734 0.77 ALDH1A1 (0.49) ALDH1A1HPGDTDP1KDM4EALOX15
SCHEMBL8042825 0.77 ALDH1A1 (0.49) ALDH1A1HPGDTDP1KDM4EALOX15
SCHEMBL8046031 0.75 ALDH1A1 (0.39) ALDH1A1HPGDTDP1KDM4EALOX15
SCHEMBL8042838 0.74 SMN1; SMN2 (0.50) ALDH1A1HPGDKDM4EHSD17B10MEN1
SCHEMBL8043605 0.74 MEN1 (0.45) ALDH1A1HPGDTDP1KDM4EALOX15
SCHEMBL8050246 0.73 ALDH1A1 (0.46) ALDH1A1HPGDTDP1KDM4EALOX15
SCHEMBL8033848 0.73 TXN (0.50) ALDH1A1HPGDTDP1KDM4EALOX15
SCHEMBL8042051 0.72 MEN1 (0.41) ALDH1A1HPGDTDP1KDM4EALOX15

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