SCHEMBL8033871

SCHEMBL8033871

CS(=O)(=O)CCCCCn1nnnc1Sc1nc(CC(=O)O)cs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.36
GABRA5 P31644 1/20 0.36
GABRB2 P47870 1/20 0.36
LMNA P02545 5/20 0.32
TDP1 Q9NUW8 1/20 0.32
HPGD P15428 2/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 7/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
ATM Q13315 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8044066 0.85 HTT (0.45) HSD17B10GABRA5GABRB2LMNAHPGD
SCHEMBL8033073 0.83 RAB9A (0.36) LMNAPOLBHTTNPC1RAB9A
SCHEMBL8044541 0.83 ALOX15 (0.41) HSD17B10GABRA5GABRB2LMNAHPGD
SCHEMBL8033866 0.82 HSD17B10 (0.40) HSD17B10GABRA5GABRB2LMNATDP1
SCHEMBL8042994 0.81 GABRA5 (0.41) HSD17B10GABRA5GABRB2LMNAHPGD
SCHEMBL8041849 0.80 RAB9A (0.38) HSD17B10LMNATDP1HPGDPOLB
SCHEMBL8051238 0.79 HSD17B10 (0.42) HSD17B10GABRA5GABRB2LMNATDP1
SCHEMBL8032345 0.78 HSD17B10 (0.43) HSD17B10GABRA5GABRB2LMNAHPGD
SCHEMBL8044409 0.77 ALDH1A1 (0.40) HSD17B10GABRA5GABRB2LMNATDP1
SCHEMBL8050622 0.77 MEN1 (0.40) HSD17B10HPGDPOLBNPC1RAB9A

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