SCHEMBL5813591

SCHEMBL5813591

COC(=O)c1ccc2[nH]c(-c3cc([N+](=O)[O-])ccc3Cl)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 7/20 0.51
RHEB Q15382 1/20 0.51
AMY1A P0DUB6 4/20 0.48
IRAK4 Q9NWZ3 1/20 0.47
PTGES O14684 1/20 0.46
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
PRSS1 P07477 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 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
SCHEMBL8610747 0.84 NPBWR1 (0.60) NPBWR1RHEBMEN1KMT2AKDM4E
SCHEMBL1838646 0.83 NPBWR1 (0.51) NPBWR1AMY1APTGESF2F10
SCHEMBL5820885 0.83 RHEB (0.55) RHEBPTGESMEN1KMT2AKDM4E
SCHEMBL3183363 0.81 NPBWR1 (0.63) NPBWR1RHEBMEN1KMT2AKDM4E
SCHEMBL1838648 0.81 NPBWR1 (0.54) NPBWR1AMY1AF2F10PLG
SCHEMBL6124798 0.81 NPBWR1 (0.54) NPBWR1AMY1AF2F10PLG
SCHEMBL6124794 0.81 NPBWR1 (0.54) NPBWR1AMY1AF2F10PLG
SCHEMBL31154156 0.79 NPBWR1 (0.58) NPBWR1AMY1AF2F10PLG
SCHEMBL18229611 0.78 NPBWR1 (0.60) NPBWR1AMY1AF2F10PLG
SCHEMBL1170648 0.78 KDM4E (0.61) RHEBMEN1KMT2AKDM4ENPC1

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-2006124780-A2 IH-BENZO [D] IMIDAZOLE COMPOUNDS AS INHIBITORS OF B-RAF KINASE KALYPSYS, INC. (US) 2006-11-23 WO disclosed