SCHEMBL5817154

SCHEMBL5817154

COc1ccc(-c2nc(N3CCNCC3)sc2-c2n[c]ncc2C2CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 8/20 0.40
CYP1A2 P05177 7/20 0.40
USP2 O75604 6/20 0.40
HIF1A Q16665 6/20 0.40
CASP1 P29466 6/20 0.40
CASP7 P55210 6/20 0.40
CYP3A4 P08684 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP2C9 P11712 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CETP P11597 1/20 0.39
HTR1A P08908 3/20 0.39
HTR7 P34969 3/20 0.39
HTR2B P41595 3/20 0.39
HTR6 P50406 2/20 0.39
HTR1B P28222 1/20 0.39

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
SCHEMBL5817700 0.96 KMT2A (0.48) KMT2AALDH1A1CYP1A2USP2HIF1A
SCHEMBL5813372 0.91 KMT2A (0.52) KMT2AALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL5818863 0.90 KMT2A (0.51) KMT2AALDH1A1CYP1A2CYP3A4HPGD
SCHEMBL5822933 0.88 KMT2A (0.51) KMT2AALDH1A1CYP1A2HPGDCYP2C9
SCHEMBL5822733 0.88 KMT2A (0.51) KMT2AALDH1A1CYP1A2HPGDCYP2C9
SCHEMBL5823265 0.88 KCNH2 (0.44) KMT2AALDH1A1CYP1A2USP2HIF1A
SCHEMBL5812232 0.86 KMT2A (0.62) KMT2AALDH1A1CYP1A2USP2HIF1A
SCHEMBL5815362 0.85 KMT2A (0.61) KMT2AALDH1A1CYP1A2USP2HIF1A
SCHEMBL5814697 0.84 MEN1 (0.38) KMT2AALDH1A1HTR2BMAPTKDM4E
SCHEMBL5823482 0.83 KCNH2 (0.44) ALDH1A1CYP1A2USP2HIF1ACASP1

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