SCHEMBL8048335

SCHEMBL8048335

O=C(O)Cn1nnnc1Sc1nc(-c2ccccc2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.45
NPC1 O15118 4/20 0.45
TDP1 Q9NUW8 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
LMNA P02545 2/20 0.41
HPGD P15428 2/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL8044036 0.90 KMT2A (0.44) RAB9ANPC1TDP1SMN1; SMN2KMT2A
SCHEMBL8043688 0.84 HTR1A (0.46) RAB9ANPC1TDP1SMN1; SMN2KMT2A
SCHEMBL8048583 0.83 ALDH1A1 (0.45) RAB9ATDP1SMN1; SMN2KMT2AMEN1
SCHEMBL8048771 0.82 MAPT (0.37) NPC1KMT2AMEN1MAPTCYP1A2
SCHEMBL8034187 0.82 HTR1A (0.44) RAB9ANPC1TDP1SMN1; SMN2KMT2A
SCHEMBL8043865 0.81 RAB9A (0.42) RAB9ANPC1TDP1SMN1; SMN2KMT2A
SCHEMBL8043746 0.80 SMN1; SMN2 (0.43) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL8033580 0.80 POLB (0.44) RAB9ANPC1TDP1SMN1; SMN2KMT2A
SCHEMBL8050306 0.79 LMNA (0.41) RAB9ANPC1TDP1SMN1; SMN2KMT2A
SCHEMBL8051238 0.79 HSD17B10 (0.42) RAB9ANPC1TDP1SMN1; SMN2KMT2A

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