SCHEMBL8632400

SCHEMBL8632400

CC(=O)N(CCc1ccccc1)S(=O)(=O)c1ccc(C)cc1N1CCN(c2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RORC P51449 4/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA9 Q16790 2/20 0.37
HTR1A P08908 2/20 0.37
DRD2 P14416 2/20 0.37
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL8634739 0.82 CA12 (0.41) MEN1KMT2ALMNAMAPTCA12
SCHEMBL8699754 0.80 L3MBTL1 (0.36) MEN1KMT2ALMNARORCMAPT
SCHEMBL8636968 0.67 DRD4 (0.45) RORCHTR1ADRD2
SCHEMBL8634075 0.65 RORC (0.45) RORC
SCHEMBL3696561 0.64 ALDH1A1 (0.48) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL6670342 0.62 CA12 (0.46) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL7956788 0.61 ITGB3 (0.48) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL6323362 0.61 ITGB3 (0.48) MEN1KMT2ALMNASMN1; SMN2MAPT
SCHEMBL7014542 0.61 CNR2 (0.68) MEN1KMT2ACNR1CNR2TSHR
SCHEMBL8631456 0.60 ALDH1A1 (0.56) MEN1KMT2ASMN1; SMN2MAPTCA12

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-5753659-A ANTICOAGULANTS FOR BLOOD DISORDER, CARDIOVASCULAR DISORDER, THROMBOSIS, ZENECA LIMITED (GB) 1998-05-19 US disclosed