SCHEMBL5089101

SCHEMBL5089101

CC(C)(C)CC(=O)C(c1ccc(-c2cc3nccc(Cl)c3s2)cc1)N(CC1CCCO1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STK17B O94768 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ OXTR P30559 5/20 0.35
▸ USP2 O75604 1/20 0.34
▸ AVPR1A P37288 3/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAP3K8 P41279 1/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL3565107 0.89 STK17B (0.38) STK17BKMT2AALDH1A1KDM4EOXTR
SCHEMBL3626959 0.79 POLB (0.47) OXTRAVPR1APOLBGAA
SCHEMBL3565103 0.78 POLB (0.45) KMT2AOXTRAVPR1AMEN1POLB
SCHEMBL15225861 0.75 HTT (0.41) KMT2AALDH1A1KDM4ELMNAMEN1
SCHEMBL15225860 0.70 SLC6A3 (0.35) STK17BKMT2AMAP3K8SMN1; SMN2
SCHEMBL15225858 0.67 EGFR (0.35) STK17BMAP3K8SMN1; SMN2
SCHEMBL1479076 0.64 MET (0.33) STK17BKMT2AMAP3K8MEN1GAA
SCHEMBL2533961 0.62 MCHR1 (0.32) STK17BKMT2AMAP3K8
SCHEMBL6002954 0.61 IKBKB (0.54) STK17BKMT2AKDM4ELMNAMAP3K8
SCHEMBL3710058 0.60 GRIN3B (0.33) STK17B

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-1904504-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING Methylgene, Inc. (CA) 2008-04-02 — — EP disclosed
WO-2007054831-A2 INHIBITORS OF VEGF RECEPTOR AND HGF RECEPTOR SIGNALING METHYLGENE, INC. (CA) 2007-05-18 — — WO disclosed
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