SCHEMBL5644587

SCHEMBL5644587

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

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.54
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
POLB P06746 1/20 0.47
PTGER1 P34995 2/20 0.45
NSD2 O96028 1/20 0.45
MAPK14 Q16539 3/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
PYCR1 P32322 1/20 0.42
HDAC6 Q9UBN7 1/20 0.41
PPARG P37231 2/20 0.41
MCHR1 Q99705 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL5644728 0.86 POLB (0.45) RIPK1MEN1KMT2AATMPOLB
SCHEMBL5644735 0.86 RIPK1 (0.54) RIPK1MEN1KMT2AATMNSD2
SCHEMBL5646227 0.86 RIPK1 (0.54) RIPK1MEN1KMT2AATMNSD2
SCHEMBL5647030 0.86 KMT2A (0.58) RIPK1MEN1KMT2AATMNSD2
SCHEMBL5644473 0.77 RIPK1 (0.51) RIPK1MEN1KMT2AATMPOLB
SCHEMBL5644680 0.75 POLB (0.47) MEN1KMT2APOLBALDH1A1PYCR1
SCHEMBL1953084 0.75 PYCR1 (0.54) RIPK1MEN1KMT2AATMPOLB
SCHEMBL5646860 0.74 NSD2 (0.44) RIPK1MEN1KMT2AATMPOLB
SCHEMBL3964632 0.74 RIPK1 (0.59) RIPK1KMT2AMAOBALDH1A1

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