SCHEMBL15061306

SCHEMBL15061306

C=Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(CCC)CC3)nc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
GAA P10253 5/20 0.53
MEN1 O00255 1/20 0.53
KDM4E B2RXH2 2/20 0.51
POLB P06746 1/20 0.43
PAX8 Q06710 1/20 0.43
ALOX12 P18054 1/20 0.43
MLNR O43193 2/20 0.43
ALDH1A1 P00352 1/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL4690758 0.99 KMT2A (0.61) KMT2AGAAMEN1KDM4EPOLB
SCHEMBL4689267 0.88 KMT2A (0.79) KMT2AGAAMEN1KDM4EPOLB
SCHEMBL15061309 0.87 KMT2A (0.64) KMT2AGAAMEN1KDM4EPOLB
SCHEMBL4692845 0.87 KMT2A (0.64) KMT2AGAAMEN1KDM4EPOLB
SCHEMBL15061215 0.87 KMT2A (0.55) KMT2AGAAMEN1KDM4EPOLB
Hydrochloric Acid SCHEMBL4746838 0.86 KMT2A (0.63) KMT2AGAAMEN1KDM4EPOLB
Hydrochloric Acid SCHEMBL4686782 0.86 KMT2A (0.54) KMT2AGAAMEN1KDM4EPOLB
SCHEMBL4686780 0.84 KMT2A (0.51) KMT2AGAAMEN1KDM4EALOX12
SCHEMBL4686785 0.84 KMT2A (0.51) KMT2AGAAMEN1KDM4EALOX12
SCHEMBL15061250 0.83 KMT2A (0.41) KMT2AGAAMEN1KDM4EPOLB

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-8476275-B2 N-[piperazinyl hetaryl]arylsufonamide compounds with affinity for the dopamine D3 receptor ABBOTT GMBH & CO. KG (DE) 2013-07-02 US claimed