SCHEMBL5797619

SCHEMBL5797619

O=[N+]([O-])c1cccnc1SCc1ccc(Cl)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.77
▸ KMT2A Q03164 2/20 0.77
▸ MAPT P10636 5/20 0.60
▸ MAPK1 P28482 2/20 0.60
▸ POLB P06746 2/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ ALDH1A1 P00352 5/20 0.48
▸ TP53 P04637 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ CYP2C9 P11712 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KDR P35968 1/20 0.46
▸ SLC29A1 Q99808 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ PKM P14618 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL30498938 0.87 MEN1 (1.00) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL393514 0.87 MEN1 (1.00) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL5795803 0.83 KMT2A (0.71) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL21046089 0.83 MEN1 (0.76) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL18508325 0.78 MEN1 (1.00) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL13437361 0.76 MEN1 (0.66) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL21081341 0.75 MEN1 (0.64) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL15227162 0.74 MEN1 (0.63) MEN1KMT2AMAPTMAPK1POLB
SCHEMBL795882 0.74 MEN1 (0.62) MEN1KMT2AMAPTMAPK1POLB
Methane SCHEMBL3417314 0.74 MAPK1 (0.58) MEN1KMT2AMAPK1POLBL3MBTL1

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-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 — — WO disclosed
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