SCHEMBL28834161

SCHEMBL28834161

CN1CCN(C(=O)Oc2cc(Cl)c(C(=O)c3cc(Cl)ccc3OC(=O)N3CCN(C)CC3)cc2OC(=O)N2CCN(C)CC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
ALDH1A1 P00352 4/20 0.46
HPGD P15428 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
USP2 O75604 2/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 2/20 0.42
HRH4 Q9H3N8 1/20 0.41
MAPK1 P28482 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL28098761 0.88 ALDH1A1 (0.43) TSHRLMNATP53ALOX15ALDH1A1
SCHEMBL28098688 0.87 HRH3 (0.42) TSHRLMNATP53ALOX15ALDH1A1
SCHEMBL30006358 0.86 ALDH1A1 (0.56) TSHRTP53ALDH1A1HPGDMEN1
SCHEMBL20980044 0.86 ALDH1A1 (0.56) TSHRTP53ALDH1A1HPGDMEN1
SCHEMBL13342918 0.78 CYP1A2 (0.62) TSHRLMNATP53ALOX15ALDH1A1
SCHEMBL22372611 0.77 USP30 (0.56) TSHRLMNATP53ALOX15ALDH1A1
SCHEMBL829543 0.75 MAPT (0.46) TSHRLMNATP53ALOX15ALDH1A1
SCHEMBL28098637 0.72 ALDH1A1 (0.43) TSHRLMNATP53ALOX15ALDH1A1
SCHEMBL28098625 0.72 LMNA (0.54) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL29617486 0.71 MEN1 (0.58) TSHRLMNATP53ALDH1A1MEN1

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
CN-105884657-A Nitrogen Formyloxy-substituted chlorobenzophenone derivative 山西医科大学 2016-08-24 CN claimed
CN-105884657-A Nitrogen Formyloxy-substituted chlorobenzophenone derivative 山西医科大学 2016-08-24 CN disclosed