SCHEMBL6928445

SCHEMBL6928445

[NH]C1CCC(NS(=O)(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
RECQL P46063 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HTT P42858 2/20 0.55
KMT2A Q03164 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HSP90AA1 P07900 1/20 0.50
PSEN1 P49768 2/20 0.49
PSEN2 P49810 2/20 0.49
APH1B Q8WW43 2/20 0.49
NCSTN Q92542 2/20 0.49
APH1A Q96BI3 2/20 0.49
PSENEN Q9NZ42 2/20 0.49
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HTR1A P08908 1/20 0.48
HTR7 P34969 1/20 0.48
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL6928447 1.00 KDM4E (0.58) KDM4ERECQLSMN1; SMN2HTTKMT2A
SCHEMBL2178427 0.91 KDM4E (0.68) KDM4ERECQLSMN1; SMN2HTTKMT2A
SCHEMBL7893069 0.84 SMN1; SMN2 (0.81) KDM4ERECQLSMN1; SMN2HTTKMT2A
SCHEMBL14842266 0.84 SMN1; SMN2 (0.75) KDM4ERECQLSMN1; SMN2HTTKMT2A
SCHEMBL9015423 0.83 KDM4E (0.58) KDM4ERECQLSMN1; SMN2HTTKMT2A
SCHEMBL6928450 0.83 KDM4E (0.58) KDM4ERECQLSMN1; SMN2HTTKMT2A
SCHEMBL7562761 0.83 SMN1; SMN2 (0.79) KDM4ERECQLSMN1; SMN2HTTKMT2A
SCHEMBL9015380 0.80 KDM4E (0.58) KDM4ERECQLSMN1; SMN2HTTKMT2A
SCHEMBL14842518 0.80 KDM4E (0.58) KDM4ERECQLSMN1; SMN2HTTKMT2A
Hydrochloric Acid SCHEMBL7531582 0.79 KDM4E (0.56) KDM4ERECQLSMN1; SMN2HTTKMT2A

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
EP-1150963-B1 SUBSTITUTED 4-AMINO-2-ARYLTETRAHYDROQUINAZOLINES, THEIR PREPARATION, THEIR USE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA GMBH (DE) 2003-12-03 EP disclosed