SCHEMBL7790533

SCHEMBL7790533

OC1CCC(Nc2cc(Cl)cc(Cl)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.39
PIM1 P11309 2/20 0.38
PIM2 Q9P1W9 1/20 0.38
GRM4 Q14833 3/20 0.38
ADORA1 P30542 1/20 0.37
POLB P06746 1/20 0.37
KCNH2 Q12809 1/20 0.36
TP53 P04637 1/20 0.36
MDM2 Q00987 1/20 0.36
CDK1 P06493 1/20 0.36
IL1B P01584 1/20 0.36
NLRP3 Q96P20 1/20 0.36
EGFR P00533 1/20 0.35
INSR P06213 1/20 0.35
LCK P06239 1/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL30288267 0.89 POLB (0.42) MEN1KMT2AGAAGRM4POLB
SCHEMBL22081785 0.89 TP53 (0.40) MEN1KMT2APIM1PIM2GRM4
SCHEMBL7794546 0.82 PIM1 (0.48) MEN1KMT2AGAAPIM1PIM2
SCHEMBL22082721 0.81 MAPT (0.44) KMT2AGAAPOLBMAPT
SCHEMBL30288234 0.81 GAA (0.46) MEN1KMT2AGAAGRM4POLB
SCHEMBL30288304 0.81 MEN1 (0.48) MEN1KMT2AGAAGRM4POLB
SCHEMBL902280 0.81 PIM1 (0.42) PIM1PIM2ADORA1KCNH2CDK1
SCHEMBL902281 0.81 PIM1 (0.42) PIM1PIM2ADORA1KCNH2CDK1
SCHEMBL7784591 0.80 POLB (0.58) MEN1KMT2AGAAPOLBTP53
SCHEMBL7794527 0.79 MEN1 (0.47) MEN1KMT2AGAAGRM4MAPT

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