SCHEMBL5820844

SCHEMBL5820844

C[C@](N)(c1ccccc1)c1nccc(-c2sc(N3CCNCC3)nc2-c2cccc(Cl)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
CAMK2D Q13557 1/20 0.41
HTR6 P50406 6/20 0.38
HTR1A P08908 3/20 0.38
HTR7 P34969 3/20 0.38
DRD2 P14416 2/20 0.38
MAPK14 Q16539 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
TGFBR1 P36897 1/20 0.38
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
S1PR2 O95136 1/20 0.36
LMNA P02545 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 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
SCHEMBL5823205 0.90 KCNH2 (0.47) KCNH2HTR6HTR1AHTR7MAPK14
SCHEMBL5817615 0.85 KCNH2 (0.57) KCNH2
SCHEMBL5820563 0.84 KMT2A (0.47) KCNH2HTR1AHTR7KMT2AKDM4E
SCHEMBL5820628 0.83 KCNH2 (0.46) KCNH2
SCHEMBL5818957 0.82 KCNH2 (0.43) KCNH2HTR6HTR1AHTR7MAPK14
SCHEMBL5823066 0.81 KCNH2 (0.42) KCNH2MAPK14MAPK13MAPK12MAPK11
SCHEMBL5819103 0.81 KCNH2 (0.43) KCNH2CAMK2DHTR6HTR1AHTR7
SCHEMBL5820847 0.80 MAPK13 (0.54) KCNH2CAMK2DMAPK14MAPK13MAPK12
SCHEMBL5813644 0.79 CCNT1 (0.47) MAPK14TGFBR1
SCHEMBL5820617 0.79 KCNH2 (0.44) KCNH2CAMK2DHTR6HTR1AHTR7

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
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO claimed
WO-2006137658-A1 NEW SUBSTITUTED 1,3-THIAZOLE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF HAVING IMMUNOSUPPRESSION AND INFLAMMATION INHIBITORY ACITIVITY, INTERMEDIATE COMPOUNDS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, A PROCESS FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONGBU HITEK CO., LTD. (KR) 2006-12-28 WO disclosed