SCHEMBL353355

SCHEMBL353355

CCN(C(=O)c1ccc(Cl)nc1)c1nsc2cccc(CC(F)F)c12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
PKM P14618 2/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 4/20 0.32
TDP1 Q9NUW8 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
NPC1 O15118 1/20 0.31
MDM2 Q00987 1/20 0.31
DGAT1 O75907 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL352691 0.90 KMT2A (0.39) KMT2ASMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL353442 0.89 LMNA (0.36) KMT2ASMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL358113 0.85 KMT2A (0.40) KMT2ASMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL353134 0.85 HCRTR1 (0.39) KMT2AMEN1ALDH1A1HCRTR1HCRTR2
SCHEMBL10167556 0.84 KMT2A (0.35) KMT2ASMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL10167584 0.82 L3MBTL1 (0.42) KMT2ASMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL352456 0.81 HCRTR1 (0.39) KMT2AMEN1ALDH1A1MAPTHCRTR1
SCHEMBL354766 0.76 HCRTR1 (0.35) HCRTR1HCRTR2
SCHEMBL354475 0.74 HTT (0.40) KMT2ASMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL351633 0.71 KMT2A (0.40) KMT2ASMN1; SMN2LMNAMEN1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2064196-B1 3-AMINO-1,2-BENZISOTHIAZOLE COMPOUNDS FOR COMBATING ANIMAL PEST II BASF SE (DE) 2012-03-14 EP disclosed