SCHEMBL8042320

SCHEMBL8042320

Clc1cnc(Sc2nnnn2Cc2cccs2)s1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 8/20 0.37
TSHR P16473 8/20 0.37
LMNA P02545 2/20 0.37
MAPK1 P28482 2/20 0.37
ALOX15 P16050 1/20 0.36
KMT2A Q03164 2/20 0.36
RORC P51449 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 3/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.33
OPRK1 P41145 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 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
SCHEMBL8033711 0.83 ALDH1A1 (0.46) ALDH1A1TSHRLMNAMAPK1KMT2A
SCHEMBL8046180 0.82 L3MBTL1 (0.39) L3MBTL1ALDH1A1TSHRLMNAMAPK1
SCHEMBL8044652 0.82 L3MBTL1 (0.41) L3MBTL1ALDH1A1TSHRLMNAMAPK1
SCHEMBL8043202 0.81 MAPK8 (0.42) L3MBTL1ALDH1A1MAPK1ALOX15KMT2A
SCHEMBL8051539 0.81 L3MBTL1 (0.40) L3MBTL1ALDH1A1TSHRLMNAMAPK1
SCHEMBL8043208 0.80 HSD17B10 (0.36) ALDH1A1TSHRLMNAMAPK1KMT2A
SCHEMBL8044897 0.77 ALDH1A1 (0.45) L3MBTL1ALDH1A1LMNAMAPK1KMT2A
SCHEMBL8042032 0.77 HSP90AA1 (0.40) L3MBTL1ALDH1A1TSHRLMNAMAPK1
SCHEMBL8049035 0.77 L3MBTL1 (0.39) L3MBTL1ALDH1A1TSHRLMNAMAPK1
SCHEMBL8033852 0.77 ALDH1A1 (0.39) L3MBTL1ALDH1A1TSHRLMNAMAPK1

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