SCHEMBL21782174

SCHEMBL21782174

CCNc1ccncc1CC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC1 P19801 3/20 0.56
AOC3 Q16853 3/20 0.56
PTGS1 P23219 3/20 0.42
KDM4C Q9H3R0 3/20 0.41
KDM6B O15054 2/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
PTGS2 P35354 2/20 0.39
CYP2E1 P05181 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
LATS1 O95835 1/20 0.37
LATS2 Q9NRM7 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37

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
SCHEMBL15087874 0.84 AOC1 (0.71) AOC1AOC3PTGS1KDM4CKDM6B
SCHEMBL11628002 0.82 AOC1 (0.53) AOC1AOC3PTGS1KDM4CKDM6B
SCHEMBL11478702 0.79 KDM4C (0.52) PTGS1KDM4CKDM6BLATS1LATS2
SCHEMBL23792402 0.77 AOC1 (0.57) AOC1AOC3PTGS1KDM4CKDM6B
SCHEMBL9329604 0.76 AOC1 (0.56) AOC1AOC3MKNK1MKNK2LATS1
SCHEMBL8379440 0.76 AOC1 (0.51) AOC1AOC3KDM4CKDM6BMKNK1
SCHEMBL30703857 0.76 AOC1 (0.56) AOC1AOC3MKNK1MKNK2LATS1
SCHEMBL13498231 0.76 AOC1 (0.47) AOC1AOC3PTGS1KDM4CKDM6B
SCHEMBL20732520 0.76 TSHR (0.44) PTGS1KDM4CKDM6B
Hydrochloric Acid SCHEMBL8379223 0.74 AOC1 (0.54) AOC1AOC3KDM4CKDM6BMKNK1

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
WO-2024059085-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF INFLAMMATORY DISEASES INVEA THERAPEUTICS, INC. (US) 2024-03-21 WO disclosed
EP-3617192-A1 VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven K.U. Leuven R&D (BE) 2020-03-04 EP disclosed