SCHEMBL5644728

SCHEMBL5644728

CN(Cc1ccc(F)cc1Cl)C(=O)c1ccc(Br)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
NSD2 O96028 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ALDH1A1 P00352 3/20 0.40
RIPK1 Q13546 2/20 0.40
HPGD P15428 1/20 0.40
PYCR1 P32322 1/20 0.40
NPC1 O15118 1/20 0.40
MCHR1 Q99705 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
NLRP3 Q96P20 1/20 0.38
HAO1 Q9UJM8 1/20 0.38
LIMK2 P53671 1/20 0.38
PDK1 Q15118 1/20 0.38

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
SCHEMBL5646860 0.88 NSD2 (0.44) POLBNSD2MEN1KMT2AATM
SCHEMBL5643958 0.86 KMT2A (0.49) MEN1KMT2AATMSLC6A2SLC6A4
SCHEMBL5644587 0.86 RIPK1 (0.54) POLBNSD2MEN1KMT2AATM
SCHEMBL5644680 0.86 POLB (0.47) POLBMEN1KMT2ASLC6A2SLC6A4
SCHEMBL5644735 0.78 RIPK1 (0.54) NSD2MEN1KMT2AATMALDH1A1
SCHEMBL5642176 0.77 ERCC1 (0.48) POLBMEN1KMT2ASLC6A2SLC6A4
SCHEMBL5643090 0.74 CRHBP (0.47) POLBMEN1KMT2ASLC6A2SLC6A4
SCHEMBL5643407 0.74 RIPK1 (0.56) NSD2MEN1KMT2AATMALDH1A1
SCHEMBL5646227 0.73 RIPK1 (0.54) NSD2MEN1KMT2AATMALDH1A1
SCHEMBL5643681 0.73 ERCC1 (0.44) POLBMEN1KMT2ASLC6A2SLC6A4

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