SCHEMBL9840265

SCHEMBL9840265

CCCCCN1C=CC(c2c(-c3ccccc3)nc3n2CCS3)C=C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.42
NPSR1 Q6W5P4 3/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 2/20 0.42
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 5/20 0.38
FLT1 P17948 1/20 0.37
KDR P35968 1/20 0.37
TEK Q02763 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HPGD P15428 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TP53 P04637 1/20 0.35
GLA P06280 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
SCHEMBL9839472 0.81 POLB (0.31) CYP2C19SMN1; SMN2CYP2C9
SCHEMBL9742994 0.72 CYP2C19 (0.41) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL20078217 0.72 ALDH1A1 (0.54) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL9742548 0.68 MAPK14 (0.43) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL12991482 0.67 MEN1 (0.58) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL9743602 0.67 MAPT (0.58) MEN1KMT2AALDH1A1NPSR1MAPT
Methylethylamine SCHEMBL11375480 0.66 MAPK14 (0.53) MEN1KMT2AALDH1A1NPSR1MAPT
Diethylamine SCHEMBL9435597 0.66 MAPK14 (0.53) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL9744026 0.65 MAPT (0.58) MEN1KMT2AALDH1A1NPSR1MAPT
SCHEMBL18884070 0.64 MEN1 (0.54) MEN1KMT2AALDH1A1NPSR1MAPT

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-5008390-A Compounds for preparing 6-phenyl-2,3-dihydroimidazo[2,1-b]-thiazoles and corresponding thiazines SMITHKLINE BECKMAN CORPORATION (US) 1991-04-16 US disclosed
US-4803279-A 1.4-dihydro-4-pyridyl-substituted imidazo (2,1-b) thiazoles and the corresponding thiazines. SMITHKLINE BECKMAN CORPORATION (US) 1989-02-07 US disclosed