SCHEMBL8043875

SCHEMBL8043875

CN(C)CCCn1nnnc1Sc1ncc(C(=O)O)s1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 15/20 0.37
DCUN1D1 Q96GG9 15/20 0.37
HTT P42858 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 1/20 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
SCHEMBL8033764 0.88 HTT (0.46) HTTHCAR2RXRARXRBRXRG
SCHEMBL8042788 0.85 HSD17B10 (0.42) HTTHCAR2RXRARXRBRXRG
SCHEMBL8716288 0.85 CYP2C19 (0.47) HTTHCAR2RXRARXRBRXRG
SCHEMBL8042980 0.83 ALDH1A1 (0.41) HTTHCAR2RXRARXRBRXRG
SCHEMBL8032986 0.82 RXRA (0.34) HTTHCAR2RXRARXRBRXRG
SCHEMBL8043225 0.82 DCUN1D1 (0.39) UBE2MDCUN1D1
SCHEMBL8052603 0.81 DCUN1D1 (0.37) UBE2MDCUN1D1HTT
SCHEMBL8041806 0.80 KMT2A (0.38) HCAR2RXRARXRBRXRGALDH1A1
SCHEMBL8032939 0.80 NPC1 (0.47) UBE2MDCUN1D1HTTALDH1A1MAPT
SCHEMBL8042742 0.80 ALDH1A1 (0.39) UBE2MDCUN1D1HTTALDH1A1GAA

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