SCHEMBL3468422

SCHEMBL3468422

CCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(F)cc3)s2)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
LMNA P02545 1/20 0.58
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
POLB P06746 2/20 0.55
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HSD17B10 Q99714 2/20 0.54
HPGD P15428 1/20 0.54
AKT1 P31749 2/20 0.54
IRS1 P35568 2/20 0.54
GAB1 Q13480 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
ALOX12 P18054 1/20 0.54
GGT1 P19440 1/20 0.53
CA2 P00918 2/20 0.51
CA1 P00915 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL3468416 0.89 P2RY1 (0.59) ALDH1A1MEN1KMT2APOLBHSD17B10
SCHEMBL3467243 0.83 P2RY1 (0.52) ALDH1A1MEN1KMT2AHSD17B10AKT1
SCHEMBL3468247 0.80 ALDH1A1 (0.66) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL1287357 0.75 MAPT (0.61) MEN1KMT2APOLBHPGDCA2
SCHEMBL3468791 0.75 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL5401641 0.74 ALDH1A1 (0.82) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL5390639 0.73 ALDH1A1 (0.73) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL3467605 0.72 ALDH1A1 (0.57) ALDH1A1LMNAMEN1KMT2APOLB
SCHEMBL5389556 0.71 ALDH1A1 (0.77) ALDH1A1MEN1KMT2APOLBKDM4E
SCHEMBL5389533 0.71 ALDH1A1 (1.00) ALDH1A1MEN1KMT2APOLBKDM4E

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