SCHEMBL8044049

SCHEMBL8044049

CN(C)CCCn1nnnc1Sc1nc(-c2ccccc2)cs1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.54
HTR7 P34969 2/20 0.54
HTR2A P28223 1/20 0.54
UBE2M P61081 11/20 0.50
DCUN1D1 Q96GG9 11/20 0.50
DRD2 P14416 1/20 0.43
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
NPC1 O15118 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL8042704 0.89 DCUN1D1 (0.44) HTR1AHTR7HTR2AUBE2MDCUN1D1
SCHEMBL8033580 0.88 POLB (0.44) HTR1AHTR7HTR2AUBE2MDCUN1D1
SCHEMBL8034187 0.85 HTR1A (0.44) HTR1AHTR7HTR2AUBE2MDCUN1D1
SCHEMBL8033682 0.85 RAB9A (0.45) HTR1AHTR7HTR2AUBE2MDCUN1D1
SCHEMBL8043688 0.83 HTR1A (0.46) HTR1AHTR7HTR2AUBE2MDCUN1D1
SCHEMBL8043614 0.83 DCUN1D1 (0.41) HTR1AHTR7HTR2AUBE2MDCUN1D1
SCHEMBL8043865 0.82 RAB9A (0.42) HTR1AHTR7HTR2AUBE2MDCUN1D1
SCHEMBL8042045 0.82 UBE2M (0.46) UBE2MDCUN1D1
SCHEMBL8041849 0.81 RAB9A (0.38) HTR1AHTR7HTR2AUBE2MDCUN1D1
SCHEMBL8720492 0.80 RAB9A (0.41) HTR1AHTR7HTR2AUBE2MDCUN1D1

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