SCHEMBL4685589

SCHEMBL4685589

CCCCCNC(=O)Nc1ccc(Oc2ccc(N)cc2)c(C(=O)NC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 9/20 0.50
▸ EPHX2 P34913 1/20 0.47
▸ PTPN2 P17706 1/20 0.46
▸ PTPN1 P18031 1/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ BRAF P15056 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ PNLIP P16233 1/20 0.44
▸ KDR P35968 1/20 0.43

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
SCHEMBL5149841 0.92 EPHX1 (0.50) EPHX1EPHX2PTPN1HDAC1HDAC2
SCHEMBL4686066 0.90 HDAC1 (0.49) EPHX1EPHX2PTPN2PTPN1HDAC1
SCHEMBL4686271 0.90 EPHX1 (0.50) EPHX1EPHX2PTPN2PTPN1ALDH1A1
SCHEMBL5149417 0.89 EPHX1 (0.52) EPHX1EPHX2HDAC1HDAC2ALDH1A1
SCHEMBL5148205 0.89 EPHX1 (0.47) EPHX1EPHX2PTPN2PTPN1ALDH1A1
SCHEMBL4785993 0.86 EPHX1 (0.53) EPHX1EPHX2HDAC1HDAC2ALDH1A1
SCHEMBL4787348 0.86 EPHX2 (0.55) EPHX1EPHX2HDAC1HDAC2ALDH1A1
SCHEMBL4783970 0.85 EPHX2 (0.60) EPHX1EPHX2ALDH1A1HTTPNLIP
SCHEMBL4786912 0.85 KDR (0.54) EPHX1EPHX2ALDH1A1HTTKDR
SCHEMBL4786099 0.85 EPHX1 (0.52) EPHX1EPHX2HDAC1HDAC2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879887-A2 NPY ANTAGONISTS, PREPARATION AND USE Cerep (FR) 2008-01-23 — — EP disclosed
WO-2007071840-A2 COMPOUNDS BASED ON FOUR AROMATIC RINGS, PREPARATION AND USES THEREOF CEREP (FR) 2007-06-28 — — WO disclosed
WO-2006108965-A2 NPY ANTAGONISTS, PREPARATION AND USE CEREP (FR) 2006-10-19 — — WO disclosed
Send feedback