SCHEMBL8047501

SCHEMBL8047501

CC(C)(C)c1nc(Sc2nnnn2Cc2cccs2)sc1Br

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 10/20 0.36
TSHR P16473 7/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
RORC P51449 1/20 0.36
ALOX15 P16050 1/20 0.36
NPSR1 Q6W5P4 4/20 0.35
HTT P42858 1/20 0.35
SLC22A12 Q96S37 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 2/20 0.34
USP2 O75604 1/20 0.33
ALPL P05186 1/20 0.33
ALPG P10696 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
SCHEMBL8033852 0.86 ALDH1A1 (0.39) L3MBTL1ALDH1A1TSHRLMNAMAPK1
SCHEMBL8048338 0.84 ALDH1A1 (0.42) ALDH1A1TSHRLMNAMAPK1NPSR1
SCHEMBL8042693 0.82 ALDH1A1 (0.35) ALDH1A1LMNAMAPK1HTTMEN1
SCHEMBL8045327 0.80 ALDH1A1 (0.42) ALDH1A1LMNAMAPK1NPSR1HTT
SCHEMBL8032728 0.78 ALDH1A1 (0.37) ALDH1A1TSHRLMNAMAPK1NPSR1
SCHEMBL8052246 0.78 KMT2A (0.36) ALDH1A1LMNAMAPK1ALOX15NPSR1
SCHEMBL8051135 0.77 L3MBTL1 (0.39) L3MBTL1ALDH1A1TSHRLMNAMAPK1
SCHEMBL8032682 0.77 TSHR (0.45) L3MBTL1ALDH1A1TSHRLMNAMAPK1
SCHEMBL8048145 0.76 ALDH1A1 (0.55) L3MBTL1ALDH1A1TSHRLMNAMAPK1
SCHEMBL8032337 0.76 HTT (0.39) ALDH1A1TSHRLMNAHTTMEN1

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