SCHEMBL5322502

SCHEMBL5322502

CC(CCc1ccccc1)NC(=O)Cc1ccc2ccccc2c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
POLB P06746 3/20 0.60
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
HPGD P15428 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
KDM4E B2RXH2 2/20 0.56
HTT P42858 1/20 0.56
LMNA P02545 1/20 0.56
GLA P06280 1/20 0.56
MAPT P10636 1/20 0.56
MAPK1 P28482 1/20 0.56
ATM Q13315 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CNR2 P34972 1/20 0.55
ESR1 P03372 1/20 0.54
ESR2 Q92731 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
SCHEMBL6297588 0.87 ALDH1A1 (0.81) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL14399009 0.85 ALDH1A1 (0.74) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL5319979 0.84 ALDH1A1 (0.65) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL5322523 0.84 ALDH1A1 (0.65) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL5325411 0.84 RAB9A (0.65) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL14399184 0.83 ALDH1A1 (0.76) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL5325429 0.83 ALDH1A1 (0.76) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL5325371 0.83 ALDH1A1 (0.76) ALDH1A1POLBMEN1KMT2AHPGD
SCHEMBL17968832 0.83 L3MBTL1 (0.53) POLBMEN1KMT2AL3MBTL1
SCHEMBL5322005 0.83 ALDH1A1 (0.63) ALDH1A1POLBMEN1KMT2AHPGD

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