SCHEMBL7832645

SCHEMBL7832645

CCN(CC)CC(O)CNC(=O)Nc1snc(OCc2cccc(Cl)c2Cl)c1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACVR2A P27037 1/20 0.34
TGFBR2 P37173 1/20 0.34
KDM4E B2RXH2 2/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
P2RX7 Q99572 2/20 0.31
HRH3 Q9Y5N1 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B13 Q7Z5P4 1/20 0.31
ABCB1 P08183 2/20 0.30
ALDH1A1 P00352 2/20 0.30
NTSR1 P30989 1/20 0.30
HTT P42858 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL3084312 0.93 ACVR2A (0.42) ACVR2ATGFBR2MEN1KMT2A
SCHEMBL3097457 0.79 KMT2A (0.37) POLBMEN1KMT2AP2RX7RAB9A
SCHEMBL3096984 0.79 ACVR2A (0.46) ACVR2ATGFBR2MEN1KMT2ARAB9A
SCHEMBL3085677 0.79 ACVR2A (0.43) ACVR2ATGFBR2KDM4EPOLBMEN1
SCHEMBL7830660 0.78 PDGFRB (0.38) ACVR2ATGFBR2KDM4EPOLBMEN1
SCHEMBL3090565 0.77 KDR (0.41) ACVR2ATGFBR2HSD17B13ALDH1A1HTT
SCHEMBL3078448 0.76 ACVR2A (0.44) ACVR2ATGFBR2MEN1KMT2A
SCHEMBL4851673 0.74 KDR (0.41) ACVR2ATGFBR2KDM4EPOLBMEN1
SCHEMBL3087321 0.74 KDR (0.42) ACVR2ATGFBR2MEN1KMT2ALMNA
SCHEMBL3073928 0.73 ACVR2A (0.44) ACVR2ATGFBR2MEN1KMT2AP2RX7

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
EP-1084114-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS Pfizer Products Inc. (US) 2001-03-21 EP disclosed
WO-1999062890-A1 ISOTHIAZOLE DERIVATIVES USEFUL AS ANTICANCER AGENTS PFIZER PRODUCTS INC. (US) 1999-12-09 WO disclosed