SCHEMBL7776840

SCHEMBL7776840

N=C(N)COc1ccccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.50
▸ HPGD P15428 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTR7 P34969 1/20 0.44
▸ PLAU P00749 2/20 0.44
▸ RAB9A P51151 4/20 0.43
▸ MAPT P10636 2/20 0.43
▸ WDR5 P61964 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ F2 P00734 1/20 0.41
▸ ST14 Q9Y5Y6 1/20 0.41
▸ NPC1 O15118 2/20 0.40

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
SCHEMBL9201393 0.81 KDM4E (0.61) GRM4HPGDLMNAKMT2AMEN1
SCHEMBL14570782 0.81 GRM4 (0.50) GRM4HPGDLMNAKMT2AMEN1
SCHEMBL7776851 0.77 L3MBTL1 (0.49) HPGDLMNAKMT2AMEN1SMN1; SMN2
SCHEMBL9201385 0.77 GRM4 (0.58) GRM4HPGDLMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL17375204 0.77 SMN1; SMN2 (0.59) HPGDLMNASMN1; SMN2RAB9AMAPT
SCHEMBL4093120 0.77 WDR5 (0.50) HPGDKMT2AMEN1SMN1; SMN2HTT
SCHEMBL7784835 0.77 AOC2 (0.54) LMNAKMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL7470938 0.76 GRM4 (0.53) GRM4HPGDLMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL6934265 0.76 WDR5 (0.49) HPGDKMT2AMEN1SMN1; SMN2HTT
SCHEMBL3241147 0.74 PKM (0.64) GRM4HPGDLMNAKMT2AMEN1

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
EP-1142881-A1 POLY(ADP-RIBOSE) POLYMERASE INHIBITORS CONSISTING OF PYRIMIDINE DERIVATIVES MEIJI SEIKA KAISHA LTD. (JP) 2001-10-10 — — EP disclosed
Send feedback