SCHEMBL7793284

SCHEMBL7793284

Brc1cccc([N]C2CCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 5/20 0.37
MBTD1 Q05BQ5 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
GRK2 P25098 1/20 0.36
CASP6 P55212 1/20 0.36
CASP8 Q14790 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM1A O60341 2/20 0.36
L3MBTL4 Q8NA19 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34

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
SCHEMBL7790471 0.83 RAB9A (0.37) L3MBTL3MBTD1L3MBTL1KDM1AL3MBTL4
SCHEMBL7793294 0.78 HTR3E (0.44) MEN1KMT2AL3MBTL1POLB
SCHEMBL3146112 0.76 ALDH1A1 (0.39) MEN1KMT2AALDH1A1
SCHEMBL723225 0.74 ALDH1A1 (0.39) KMT2AALDH1A1IDO1
SCHEMBL7172274 0.71 ALDH1A1 (0.46) MEN1KMT2ATDP1KDM1AALDH1A1
SCHEMBL7172271 0.71 ALDH1A1 (0.46) MEN1KMT2ATDP1KDM1AALDH1A1
SCHEMBL1971584 0.71 ALDH1A1 (0.46) MEN1KMT2ATDP1KDM1AALDH1A1
SCHEMBL30102043 0.71 ALDH1A1 (0.46) MEN1KMT2ATDP1KDM1AALDH1A1
SCHEMBL8073231 0.67 ALDH1A1 (0.49) MEN1KMT2AALDH1A1IDO1TDO2
SCHEMBL8004647 0.67

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
EP-1150963-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2001-11-07 EP disclosed
WO-2000046214-A1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-08-10 WO disclosed