SCHEMBL8041849

SCHEMBL8041849

CS(=O)(=O)CCCCCn1nnnc1Sc1nc(-c2ccccc2)cs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.38
HTR1A P08908 1/20 0.38
HTR2A P28223 1/20 0.38
HTR7 P34969 1/20 0.38
UBE2M P61081 3/20 0.37
DCUN1D1 Q96GG9 3/20 0.37
NPC1 O15118 3/20 0.37
TDP1 Q9NUW8 3/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
APEX1 P27695 1/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 2/20 0.34
TP53 P04637 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34

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
SCHEMBL8051108 0.90 KMT2A (0.38) RAB9ADCUN1D1NPC1HTTSMN1; SMN2
SCHEMBL8033580 0.84 POLB (0.44) RAB9AHTR1AHTR2AHTR7UBE2M
SCHEMBL8033576 0.84 CXCR3 (0.31) UBE2MDCUN1D1HTT
SCHEMBL8033073 0.83 RAB9A (0.36) RAB9AUBE2MDCUN1D1NPC1HTT
SCHEMBL8034187 0.82 HTR1A (0.44) RAB9AHTR1AHTR2AHTR7UBE2M
SCHEMBL8044049 0.81 HTR1A (0.54) RAB9AHTR1AHTR2AHTR7UBE2M
SCHEMBL8033682 0.81 RAB9A (0.45) RAB9AHTR1AHTR2AHTR7UBE2M
SCHEMBL8047444 0.81 ALDH1A1 (0.44) RAB9ANPC1TDP1HTTSMN1; SMN2
SCHEMBL8033871 0.80 HSD17B10 (0.36) RAB9ANPC1TDP1HTTSMN1; SMN2
SCHEMBL8043688 0.79 HTR1A (0.46) RAB9AHTR1AHTR2AHTR7UBE2M

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 2 patents. 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
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed