SCHEMBL5322005

SCHEMBL5322005

CC(CCc1ccccc1)NC(=O)Cc1cccc(Cl)c1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
POLB P06746 3/20 0.58
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HPGD P15428 2/20 0.55
HTT P42858 2/20 0.55
NPSR1 Q6W5P4 1/20 0.54
CNR2 P34972 1/20 0.54
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
ESR1 P03372 1/20 0.53
ESR2 Q92731 1/20 0.53
TP53 P04637 1/20 0.53
KCNQ2 O43526 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
SCHEMBL5327587 0.86 ALDH1A1 (0.74) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL6297588 0.86 ALDH1A1 (0.81) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL5319979 0.86 ALDH1A1 (0.65) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL5325411 0.85 RAB9A (0.65) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL5323948 0.84 ALDH1A1 (0.63) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL5330701 0.84 ATM (0.71) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL5322523 0.83 ALDH1A1 (0.65) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL5324271 0.83 ALDH1A1 (0.61) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL5322502 0.83 ALDH1A1 (0.68) ALDH1A1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL12880514 0.82 EPHX2 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD

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