SCHEMBL8044629

SCHEMBL8044629

Cc1cc(-n2nnnc2Sc2nc(-c3ccccc3)cs2)sc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.39
HTT P42858 6/20 0.39
TSHR P16473 6/20 0.39
HSD17B10 Q99714 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 8/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
TP53 P04637 3/20 0.39
MAPK1 P28482 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
RAB9A P51151 3/20 0.38
UBE2M P61081 2/20 0.38
DCUN1D1 Q96GG9 2/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38

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
SCHEMBL8043842 0.89 KMT2A (0.44) ALDH1A1HTTTSHRHSD17B10TDP1
SCHEMBL8047340 0.84 ALDH1A1 (0.40) ALDH1A1HTTTSHRHSD17B10TDP1
SCHEMBL8041803 0.83 MAPT (0.34) HTTLMNAMAPTKMT2AKDM4E
SCHEMBL8044269 0.83 ALDH1A1 (0.34) ALDH1A1HTTTSHRHSD17B10TDP1
SCHEMBL8044696 0.81 HTT (0.40) ALDH1A1HTTTSHRHSD17B10TDP1
SCHEMBL8050384 0.80 HTT (0.38) ALDH1A1HTTTSHRHSD17B10TDP1
SCHEMBL8033225 0.80 ALDH1A1 (0.47) ALDH1A1HTTTSHRHSD17B10TDP1
SCHEMBL8044812 0.80 ALDH1A1 (0.52) ALDH1A1HTTTSHRHSD17B10TDP1
SCHEMBL8710052 0.79 LMNA (0.41) ALDH1A1HTTTSHRHSD17B10TDP1
SCHEMBL8048135 0.77 ALDH1A1 (0.37) ALDH1A1HTTTSHRHSD17B10TDP1

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