SCHEMBL5812762

SCHEMBL5812762

COc1ccc(-c2nc(N3CCN(C(=O)OC(C)(C)C)CC3)sc2-c2ccnc(NCCc3ccccc3)n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.48
ACHE P22303 2/20 0.46
TLR9 Q9NR96 2/20 0.44
KMT2A Q03164 1/20 0.41
CKS1B P61024 2/20 0.41
SKP1 P63208 2/20 0.41
SKP2 Q13309 2/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PPARG P37231 1/20 0.40
CETP P11597 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
SLC6A2 P23975 1/20 0.40
HRH2 P25021 1/20 0.40
HTR1D P28221 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL5815367 0.88 MAPK14 (0.45) SLC2A1ACHECKS1BSKP1SKP2
SCHEMBL5819639 0.85 CKS1B (0.44) ACHETLR9KMT2ACKS1BSKP1
SCHEMBL5813636 0.84 ALDH1A1 (0.48) KMT2ACKS1BSKP1SKP2MAPT
SCHEMBL5819074 0.83 ALDH1A1 (0.47) KMT2ACKS1BSKP1SKP2MAPT
SCHEMBL5818673 0.82 ALDH1A1 (0.46) KMT2AMAPTALDH1A1HTTNPSR1
SCHEMBL5819327 0.80 KMT2A (0.48) KMT2ACKS1BSKP1SKP2MAPT
SCHEMBL3100957 0.79 KMT2A (0.64) KMT2ACKS1BSKP1SKP2MAPT
SCHEMBL5819400 0.79 KMT2A (0.46) KMT2ACKS1BSKP1SKP2MAPT
SCHEMBL5818457 0.77 MAPK14 (0.47) CKS1BSKP1SKP2
SCHEMBL5812944 0.76 KCNH2 (0.47) CDK2

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 1 patent. 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 disclosed