SCHEMBL9700756

SCHEMBL9700756

O=c1[nH]c(-c2cccc(Br)c2)ccc1-c1nnn[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PLA2G1B P04054 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
MAOB P27338 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
DCUN1D1 Q96GG9 1/20 0.35

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
SCHEMBL9700393 0.88
SCHEMBL9701671 0.85 BRD4 (0.42) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL9700666 0.81 ALDH1A1 (0.53) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL9700701 0.81 NOTUM (0.41) MAPTALDH1A1KDM4EGLAGAA
SCHEMBL9700407 0.81 IDO1 (0.41) KMT2AMAPTALDH1A1KDM4EGLA
SCHEMBL9700679 0.81 MAOA (0.37) KMT2AMAPTPOLBKDM4EL3MBTL1
SCHEMBL9251638 0.80 PTGER3 (0.46)
SCHEMBL9528770 0.79 KDM4E (0.48) MAPTALDH1A1KDM4EGLAGAA
SCHEMBL9525656 0.78 NOTUM (0.40) KMT2AMEN1MAPTKDM4EGAA
SCHEMBL9700663 0.77 MAPT (0.36) MAPT

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
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO claimed
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed