SCHEMBL7784548

SCHEMBL7784548

CC(CCCC(C)(C)O)[N]c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
BCL2 P10415 2/20 0.34
KCNH3 Q9ULD8 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSD11B1 P28845 2/20 0.32
NOS3 P29474 4/20 0.32
NOS1 P29475 4/20 0.32
NOS2 P35228 4/20 0.32
CYP2D6 P10635 2/20 0.32
CYP2C19 P33261 2/20 0.32
HTR3E A5X5Y0 1/20 0.32
SLC22A2 O15244 1/20 0.32
SLC22A1 O15245 1/20 0.32
SLC22A3 O75751 1/20 0.32

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
SCHEMBL7794109 0.81 NOS3 (0.38) MEN1KMT2AALDH1A1LMNASLC6A4
SCHEMBL7784550 0.71 KCNH3 (0.51) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL24055011 0.68 FDPS (0.48) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL21561548 0.67 HRH3 (0.41) MEN1KMT2AALDH1A1HSD11B1
SCHEMBL25341473 0.64 ALDH1A1 (0.49) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL25946132 0.62 KMT2A (0.55) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL10178410 0.62 MEN1 (0.50) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL1564370 0.62 ALDH1A1 (0.45) MEN1KMT2AALDH1A1KCNH3CYP3A4
SCHEMBL4791495 0.61 POLB (0.39) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL16357610 0.61 ALDH1A1 (0.50) MEN1KMT2AALDH1A1LMNAKCNH3

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