SCHEMBL4664142

SCHEMBL4664142

Cc1c(CCC(N)=O)cnn1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
HPGD P15428 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 3/20 0.34
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HDAC1 Q13547 2/20 0.34
ICMT O60725 1/20 0.34
HDAC3 O15379 1/20 0.34
TP53 P04637 2/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL4878876 0.84 IAPP (0.39) SMN1; SMN2HPGDALDH1A1MAPTHTT
SCHEMBL4007505 0.82 HTT (0.39) SMN1; SMN2HPGDALDH1A1MAPTHTT
Hydrochloric Acid SCHEMBL2009895 0.74 TAAR1 (0.36) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL9965027 0.74 MAPK1 (0.35) SMN1; SMN2HPGDALDH1A1MAPTHTT
SCHEMBL8342654 0.73
SCHEMBL4359151 0.73 SMN1; SMN2 (0.40) SMN1; SMN2HPGDALDH1A1MAPTHTT
SCHEMBL1843191 0.71
SCHEMBL5261460 0.71
SCHEMBL3126640 0.71 MEN1 (0.35) CAPN1SMN1; SMN2HPGDALDH1A1MAPT
SCHEMBL3943604 0.70 CAPN1 (0.36) CAPN1SMN1; SMN2ALDH1A1MEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2007717-A1 NOVEL SULFONAMIDE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2008-12-31 EP claimed
WO-2007116374-A1 NOVEL SULFONAMIDE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2007-10-18 WO claimed