SCHEMBL16637698

SCHEMBL16637698

C1=CN(c2ccccn2)CS1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.44
EP300 Q09472 1/20 0.40
KAT2B Q92831 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CRBN Q96SW2 1/20 0.39
CYP1A2 P05177 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38

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
SCHEMBL1140766 0.74 PLD1 (0.47) PLD1EP300KAT2BALDH1A1HPGD
Hydrochloric Acid SCHEMBL3827230 0.72 PLD1 (0.46) PLD1EP300KAT2BALDH1A1HPGD
Bromide SCHEMBL6883560 0.71 PLD1 (0.44) PLD1EP300KAT2BALDH1A1HPGD
SCHEMBL30569109 0.69 PLD1 (0.50) PLD1EP300KAT2BALDH1A1HPGD
SCHEMBL1437298 0.69 PLD1 (0.50) PLD1EP300KAT2BALDH1A1HPGD
SCHEMBL27508033 0.68 PLD1 (0.46) PLD1ALDH1A1HPGDHSD17B10CRBN
Ammonia Solution, Strong SCHEMBL28277848 0.67 PLD1 (0.48) PLD1EP300KAT2BALDH1A1HPGD
SCHEMBL30565007 0.67 PLD1 (0.44) PLD1ALDH1A1HPGDHSD17B10CRBN
SCHEMBL6499166 0.67 PLD1 (0.44) PLD1EP300KAT2BALDH1A1HPGD
SCHEMBL2096767 0.67 PLD1 (0.44) PLD1ALDH1A1HPGDHSD17B10CRBN

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3055301-A1 RHO KINASE INHIBITORS Kadmon Corporation, LLC (US) 2016-08-17 EP claimed
WO-2015054317-A1 RHO KINASE INHIBITORS KADMON CORPORATION, LLC (US) 2015-04-16 WO claimed
CN-101817836-B Method for preparing imidazo[2,1-b]thiazole derivative by catalysis of copper salt UNIV ZHEJIANG 2012-02-29 CN disclosed
CN-101817836-A Method for preparing imidazo[2,1-b]thiazole derivative by catalysis of copper salt UNIV ZHEJIANG 2010-09-01 CN disclosed