SCHEMBL8043409

SCHEMBL8043409

CC(C)(C)n1nnnc1Sc1nc(CC(=O)O)cs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.43
GABRA5 P31644 1/20 0.43
GABRB2 P47870 1/20 0.43
ALDH1A1 P00352 8/20 0.36
KDM4E B2RXH2 5/20 0.36
HPGD P15428 3/20 0.36
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 3/20 0.35
POLB P06746 1/20 0.35
GAA P10253 4/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL8032345 0.84 HSD17B10 (0.43) HSD17B10GABRA5GABRB2ALDH1A1KDM4E
SCHEMBL8042994 0.81 GABRA5 (0.41) HSD17B10GABRA5GABRB2ALDH1A1KDM4E
SCHEMBL8044815 0.81 GABRA5 (0.40) HSD17B10GABRA5GABRB2ALDH1A1KDM4E
SCHEMBL8051238 0.80 HSD17B10 (0.42) HSD17B10GABRA5GABRB2ALDH1A1KDM4E
SCHEMBL8044541 0.80 ALOX15 (0.41) HSD17B10GABRA5GABRB2ALDH1A1HPGD
SCHEMBL8051265 0.79 TP53 (0.41) HSD17B10ALDH1A1HPGDTSHRLMNA
SCHEMBL8044066 0.78 HTT (0.45) HSD17B10GABRA5GABRB2ALDH1A1HPGD
SCHEMBL8051833 0.77 POLB (0.54) HSD17B10ALDH1A1KDM4EHPGDTSHR
SCHEMBL8044114 0.76 HSD17B10 (0.40) HSD17B10GABRA5GABRB2ALDH1A1KDM4E
SCHEMBL8042846 0.76 HSD17B10 (0.40) HSD17B10GABRA5GABRB2ALDH1A1KDM4E

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