SCHEMBL7823323

SCHEMBL7823323

Brc1ccccc1Cn1cnnn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2A13 Q16696 1/20 0.41
HDAC1 Q13547 1/20 0.39
HMOX1 P09601 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TSHR P16473 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
PLA2G1B P04054 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5816298 0.79 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL30491568 0.79 CYP2C19 (0.49) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL29788860 0.79 ALDH1A1 (0.50) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL29788836 0.79 CYP19A1 (0.45) TYRMEN1KMT2AALDH1A1KDM4E
SCHEMBL305310 0.75 CYP19A1 (0.58) TYRCYP2A13
SCHEMBL29788845 0.75 KMT2A (0.54) MEN1KMT2AALDH1A1KDM4EL3MBTL1
SCHEMBL2532477 0.73 CYP19A1 (0.55) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL9978689 0.72 CYP19A1 (0.53) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL8112945 0.71 RAB9A (0.40) MEN1KMT2AALDH1A1KDM4EHMOX1
SCHEMBL708243 0.70 KDM4E (0.51) TYRMEN1KMT2AALDH1A1KDM4E

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-0880522-B1 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZINE-4-ONE DERIVATIVES AMPA AND NMDA RECEPTORS ANTAGONISTS, PREPARATION THEREOF, INTERMEDIATES THEREOF AND DRUGS CONTAINING SAME AVENTIS PHARMA SA (FR) 2001-09-19 EP disclosed
EP-0880522-A1 5H,10H-IMIDAZO 1,2-a]INDENO 1,2-e]PYRAZINE-4-ONE DERIVATIVES, PREPARATION THEREOF, INTERMEDIATES THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1998-12-02 EP disclosed
WO-1997025328-A1 5H,10H-IMIDAZO[1,2-a]INDENO[1,2-e]PYRAZINE-4-ONE DERIVATIVES, PREPARATION THEREOF, INTERMEDIATES THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1997-07-17 WO disclosed