SCHEMBL5646227

SCHEMBL5646227

CN(Cc1ccc(F)cc1F)C(=O)c1ccc(I)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.54
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
NSD2 O96028 1/20 0.45
MAOB P27338 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
MCHR1 Q99705 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.39
MAPK14 Q16539 1/20 0.39
LIMK2 P53671 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NAMPT P43490 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL5643407 0.87 RIPK1 (0.56) RIPK1MEN1KMT2AATMNSD2
SCHEMBL5644735 0.86 RIPK1 (0.54) RIPK1MEN1KMT2AATMNSD2
SCHEMBL5644587 0.86 RIPK1 (0.54) RIPK1MEN1KMT2AATMNSD2
SCHEMBL5647030 0.86 KMT2A (0.58) RIPK1MEN1KMT2AATMNSD2
SCHEMBL5646698 0.80 NSD2 (0.68) RIPK1MEN1KMT2ANSD2ALDH1A1
SCHEMBL5644473 0.77 RIPK1 (0.51) RIPK1MEN1KMT2AATMALDH1A1
SCHEMBL5643681 0.75 ERCC1 (0.44) MEN1KMT2ALIMK2HTT
SCHEMBL5451331 0.75 MAOB (0.44) RIPK1MEN1KMT2AMAOBALDH1A1
SCHEMBL5646860 0.74 NSD2 (0.44) RIPK1MEN1KMT2AATMNSD2
SCHEMBL3964632 0.74 RIPK1 (0.59) RIPK1KMT2AMAOBALDH1A1HTT

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
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed