SCHEMBL8799028

SCHEMBL8799028

CC1CCSC1CC(=O)Nc1ncccc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 5/20 0.41
MAPK1 P28482 2/20 0.40
KMT2A Q03164 6/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 5/20 0.39
HTT P42858 4/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.37
CLCN2 P51788 1/20 0.37
P2RX7 Q99572 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
SCHEMBL8797975 0.76 EPHX2 (0.56) DHODHKMT2AGAAMEN1RAB9A
SCHEMBL8801191 0.74 CNR2 (0.38) KMT2AMEN1HTTRAB9ANPC1
SCHEMBL13789621 0.73 DHODH (0.55) DHODHMAPK1KMT2ALMNAGAA
SCHEMBL31439510 0.70 DHODH (0.55) DHODHKMT2ALMNAGAAMEN1
SCHEMBL18640737 0.69 DHODH (0.54) DHODHKMT2ALMNAGAAMEN1
SCHEMBL1185073 0.69 HTT (0.52) DHODHMAPK1KMT2ALMNAGAA
SCHEMBL288085 0.68 DHODH (0.60) DHODHMAPK1KMT2ALMNAGAA
SCHEMBL18640723 0.68 MEN1 (0.60) DHODHKMT2ALMNAMEN1HTT
SCHEMBL8604699 0.68 DHODH (0.64) DHODHKMT2ALMNAGAAMEN1
SCHEMBL18640728 0.68 DHODH (0.64) DHODHMAPK1KMT2ALMNAGAA

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-0811008-A1 BICYCLIC BENZAZEPINE DERIVATIVES AS VASOPRESSIN ANTAGONISTS American Cyanamid Company (US) 1997-12-10 EP disclosed