SCHEMBL5644473

SCHEMBL5644473

CN(Cc1ccc(F)cc1F)C(=O)c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.51
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ATM Q13315 1/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
NLRP3 Q96P20 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
HAO1 Q9UJM8 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
SCHEMBL5644735 0.85 RIPK1 (0.54) RIPK1KMT2AMEN1ATMALDH1A1
SCHEMBL5647030 0.85 KMT2A (0.58) RIPK1KMT2AMEN1ATM
SCHEMBL5642804 0.81 MEN1 (0.50) KMT2AMEN1ALDH1A1HPGDGAA
SCHEMBL5643407 0.79 RIPK1 (0.56) RIPK1KMT2AMEN1ATMALDH1A1
SCHEMBL5643958 0.77 KMT2A (0.49) KMT2AMEN1ATM
SCHEMBL5646227 0.77 RIPK1 (0.54) RIPK1KMT2AMEN1ATMALDH1A1
SCHEMBL5644587 0.77 RIPK1 (0.54) RIPK1KMT2AMEN1ATMALDH1A1
SCHEMBL5644480 0.75 KMT2A (0.79) KMT2AMEN1ATMALDH1A1HPGD
SCHEMBL8238900 0.74 CDK4 (0.51) KMT2AMEN1ATMALDH1A1HPGD
SCHEMBL3964632 0.74 RIPK1 (0.59) RIPK1KMT2AALDH1A1HTT

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