SCHEMBL8034024

SCHEMBL8034024

CC(C)(C)c1nnc(Sc2nc(-c3ccccc3)cs2)n1-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
RAB9A P51151 5/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 7/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
RECQL P46063 1/20 0.35
MEN1 O00255 3/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL8051083 0.92 ALOX5 (0.39) HTR1AHTR2AHTR7RAB9AHTT
SCHEMBL8051217 0.87 EIF4E (0.36) HTR1AHTR2AHTR7RAB9ASMN1; SMN2
SCHEMBL8032515 0.85 HTR1A (0.43) HTR1AHTR2AHTR7RAB9AHTT
SCHEMBL8031825 0.85 LMNA (0.40) RAB9AHTTNPC1SMN1; SMN2ALDH1A1
SCHEMBL8050718 0.78 HTT (0.51) HTR1AHTR2AHTR7HTTSMN1; SMN2
SCHEMBL8033675 0.78 TSHR (0.39) SMN1; SMN2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL8046090 0.77 TSHR (0.52) HTTSMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL8049124 0.76 TSHR (0.60) HTTSMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL8032636 0.76 ATM (0.47) RAB9AHTTNPC1SMN1; SMN2ALDH1A1
SCHEMBL8709945 0.76 ALDH1A1 (0.52) RAB9AHTTNPC1SMN1; SMN2ALDH1A1

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