SCHEMBL7793247

SCHEMBL7793247

CC1(C)CC(Nc2cccc(Cl)c2)CC(C)(C)N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.59
MEN1 O00255 3/20 0.59
LMNA P02545 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 1/20 0.59
PKM P14618 1/20 0.59
ALOX15 P16050 1/20 0.59
ALOX12 P18054 1/20 0.59
RAD52 P43351 1/20 0.59
GFER P55789 1/20 0.59
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
MAPK14 Q16539 1/20 0.43
FADS1 O60427 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.40
KDM1A O60341 1/20 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
SCHEMBL1470878 0.83 MEN1 (0.53) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL9380274 0.80 KMT2A (0.87) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL1471429 0.79 KMT2A (0.56) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL1470632 0.79 MEN1 (0.52) KMT2AMEN1LMNAL3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL1472992 0.78 KMT2A (0.55) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL10780921 0.77 ALDH1A1 (0.77) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL9505550 0.76 KMT2A (0.52) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL3593065 0.76 KMT2A (0.49) KMT2AMEN1LMNAL3MBTL1ALDH1A1
SCHEMBL4176467 0.76 FADS1 (0.54) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL1471326 0.75 KMT2A (0.47) KMT2AMEN1LMNAL3MBTL1ALDH1A1

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