SCHEMBL7794527

SCHEMBL7794527

Clc1cc(Cl)cc(NC2CCCCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
GRM4 Q14833 3/20 0.43
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
EPHX1 P07099 1/20 0.42
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.42
RAB9A P51151 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
ALDH1A1 P00352 2/20 0.41
RIPK1 Q13546 1/20 0.41
TYRO3 Q06418 2/20 0.41
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL30288304 0.98 MEN1 (0.48) MEN1KMT2AGRM4LMNANPC1
SCHEMBL3786402 0.96 MEN1 (0.46) MEN1KMT2AGRM4LMNANPC1
SCHEMBL30288234 0.93 GAA (0.46) MEN1KMT2AGRM4LMNANPC1
SCHEMBL30288267 0.89 POLB (0.42) MEN1KMT2AGRM4LMNATSHR
SCHEMBL3787843 0.88 CYP3A4 (0.43) MEN1KMT2AGRM4LMNANPC1
SCHEMBL3477718 0.80 EPHX2 (0.60) MEN1KMT2ALMNANPC1EPHX1
SCHEMBL27645212 0.79 TYRO3 (0.43) MEN1KMT2ATYRO3MAPK1
SCHEMBL7790533 0.79 MEN1 (0.41) MEN1KMT2AGRM4EPHX2GAA
SCHEMBL2095853 0.79 MEN1 (0.37) MEN1KMT2AGRM4ALDH1A1TYRO3
SCHEMBL2936626 0.78 POLB (0.61) MEN1KMT2ALMNANPC1EPHX1

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