SCHEMBL3467458

SCHEMBL3467458

O=S(=O)(Nc1nnc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPT P10636 1/20 0.61
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
LMNA P02545 2/20 0.51
ALOX12 P18054 1/20 0.51
HTT P42858 1/20 0.51
KDM1A O60341 3/20 0.49
P2RY1 P47900 1/20 0.48
KLKB1 P03952 1/20 0.48
CTSB P07858 1/20 0.48
ELANE P08246 1/20 0.48
GGT1 P19440 1/20 0.47
POLB P06746 1/20 0.46
HSD17B10 Q99714 2/20 0.46
HPGD P15428 1/20 0.46
CA1 P00915 1/20 0.45
ATM Q13315 1/20 0.45

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
SCHEMBL3467605 0.91 ALDH1A1 (0.57) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3467499 0.90 ALDH1A1 (0.58) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3467235 0.90 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3467612 0.87 MEN1 (0.67) ALDH1A1MAPTMEN1KMT2AP2RY1
SCHEMBL3467123 0.87 MEN1 (0.47) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3467368 0.87 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3466859 0.83 MEN1 (0.65) ALDH1A1MAPTMEN1KMT2AP2RY1
SCHEMBL3467243 0.83 P2RY1 (0.52) ALDH1A1MAPTMEN1KMT2AP2RY1
SCHEMBL5390639 0.82 ALDH1A1 (0.73) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL3467259 0.81 KMT2A (0.55) ALDH1A1MAPTMEN1KMT2ALMNA

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