SCHEMBL5324271

SCHEMBL5324271

CC(CCc1ccccc1)NC(=O)Cc1c(Cl)cccc1Cl

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
ESR1 P03372 4/20 0.60
ESR2 Q92731 4/20 0.60
POLB P06746 2/20 0.60
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HTT P42858 2/20 0.56
HPGD P15428 1/20 0.56
NPSR1 Q6W5P4 1/20 0.55
MAPT P10636 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL5321782 0.91 POLB (0.57) ALDH1A1ESR1ESR2POLBMEN1
SCHEMBL6297588 0.84 ALDH1A1 (0.81) ALDH1A1ESR1ESR2POLBMEN1
SCHEMBL5322005 0.83 ALDH1A1 (0.63) ALDH1A1ESR1ESR2POLBMEN1
SCHEMBL5327587 0.82 ALDH1A1 (0.74) ALDH1A1ESR1ESR2POLBMEN1
SCHEMBL5319979 0.82 ALDH1A1 (0.65) ALDH1A1ESR1ESR2POLBMEN1
SCHEMBL20456249 0.80 SMN1; SMN2 (0.65) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL5330701 0.80 ATM (0.71) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL14399009 0.80 ALDH1A1 (0.74) ALDH1A1ESR1ESR2POLBMEN1
SCHEMBL5325411 0.78 RAB9A (0.65) ALDH1A1ESR1ESR2POLBMEN1
SCHEMBL5325429 0.78 ALDH1A1 (0.76) ALDH1A1ESR1ESR2POLBMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007120083-A1 THE USE OF CARBOXAMIDE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, ALLERGIC AND DERMATOLOGICAL CONDITIONS ASTRAZENECA AB (SE) 2007-10-25 WO claimed
WO-2007120083-A1 THE USE OF CARBOXAMIDE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, ALLERGIC AND DERMATOLOGICAL CONDITIONS ASTRAZENECA AB (SE) 2007-10-25 WO disclosed
WO-2007120083-A1 THE USE OF CARBOXAMIDE DERIVATIVES IN THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, ALLERGIC AND DERMATOLOGICAL CONDITIONS ASTRAZENECA AB (SE) 2007-10-25 WO disclosed