SCHEMBL5823310

SCHEMBL5823310

COc1ccc(-c2nc(N3CCCCC3)sc2-c2ccnc([C@@](C)(N)c3ccccc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
NPSR1 Q6W5P4 3/20 0.51
HTT P42858 2/20 0.51
KMT2A Q03164 3/20 0.48
CETP P11597 1/20 0.42
KCNH2 Q12809 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
MEN1 O00255 2/20 0.39
PKM P14618 1/20 0.39
ALOX5 P09917 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 5/20 0.38
KDM4E B2RXH2 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL5820563 0.91 KMT2A (0.47) ALDH1A1NPSR1HTTKMT2ACETP
SCHEMBL5823066 0.83 KCNH2 (0.42) ALDH1A1NPSR1HTTKCNH2SMN1; SMN2
SCHEMBL5817615 0.80 KCNH2 (0.57) KCNH2
SCHEMBL5818970 0.80 EGFR (0.47) KCNH2
SCHEMBL5819690 0.79 ALDH1A1 (0.49) ALDH1A1NPSR1HTTKMT2ACETP
SCHEMBL5812382 0.78 KMT2A (0.55) ALDH1A1NPSR1HTTKMT2ACETP
SCHEMBL5821649 0.78 ADORA2A (0.39) ALDH1A1NPSR1KMT2ASMN1; SMN2MEN1
SCHEMBL5819634 0.77 KCNH2 (0.48) KCNH2
SCHEMBL5817277 0.77 KMT2A (0.53) ALDH1A1NPSR1HTTKMT2ACETP
SCHEMBL5815226 0.76 KMT2A (0.50) ALDH1A1NPSR1HTTKMT2AKCNH2

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