SCHEMBL3467279

SCHEMBL3467279

N#Cc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(C(F)(F)F)cc3)s2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 1/20 0.54
ALDH1A1 P00352 4/20 0.51
GGT1 P19440 1/20 0.51
POLB P06746 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
SCN3A Q9NY46 2/20 0.45
AKT1 P31749 2/20 0.44
USP21 Q9UK80 2/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL3467123 0.88 MEN1 (0.47) P2RY1ALDH1A1GGT1POLBMEN1
SCHEMBL3478056 0.81 ALDH1A1 (0.52) P2RY1ALDH1A1GGT1POLBMEN1
SCHEMBL3468416 0.78 P2RY1 (0.59) P2RY1ALDH1A1GGT1POLBMEN1
SCHEMBL3467783 0.77 ALDH1A1 (0.55) P2RY1ALDH1A1GGT1POLBMEN1
SCHEMBL711624 0.76 SCN3A (0.63) P2RY1ALDH1A1MEN1KMT2ASCN3A
SCHEMBL5390639 0.75 ALDH1A1 (0.73) ALDH1A1GGT1POLBMEN1KMT2A
SCHEMBL3467605 0.74 ALDH1A1 (0.57) P2RY1ALDH1A1GGT1POLBMEN1
SCHEMBL3467499 0.74 ALDH1A1 (0.58) P2RY1ALDH1A1GGT1MEN1KMT2A
SCHEMBL3467458 0.74 ALDH1A1 (0.61) P2RY1ALDH1A1GGT1POLBMEN1
SCHEMBL3467276 0.73 ALDH1A1 (0.58) ALDH1A1GGT1POLBMEN1KMT2A

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
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO claimed
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO disclosed