SCHEMBL8540456

SCHEMBL8540456

COc1ccc(C2CNc3ccccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.47
GID4 Q8IVV7 1/20 0.47
TNKS2 Q9H2K2 1/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
EDNRA P25101 2/20 0.42
EDNRB P24530 1/20 0.42
JAK2 O60674 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
CYP19A1 P11511 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7666751 0.84 GID4 (0.48) PAX8GID4TNKS2KDM4EMEN1
SCHEMBL8130957 0.83 GID4 (0.53) GID4KDM4EMEN1GAAKMT2A
SCHEMBL4001774 0.81 MEN1 (0.52) KDM4EMEN1KMT2AALDH1A1MAPT
Hydrochloric Acid SCHEMBL11553849 0.79 MEN1 (0.50) KDM4EMEN1GAAKMT2AMAPT
SCHEMBL5871368 0.78 PRCP (0.42) MEN1GAAKMT2AMAPTJAK2
SCHEMBL11516181 0.78 SLC6A2 (0.44)
SCHEMBL8540865 0.78 ESR2 (0.41) KDM4EMEN1GAAKMT2AALDH1A1
SCHEMBL8539384 0.77 HTR2C (0.47) KDM4EMEN1GAAKMT2AALDH1A1
SCHEMBL11008904 0.76 GID4 (0.40) GID4KDM4EMEN1GAAKMT2A
SCHEMBL5871406 0.74 PAX8 (0.53) PAX8MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0721949-B1 INDOLINE COMPOUND AND 5-HT 3? RECEPTOR ANTAGONIST CONTAINING THE SAME AS ACTIVE INGREDIENT TOKYO TANABE CO (JP) 1998-01-07 EP disclosed
US-5677326-A GASTROINTESTINAL DISORDERS TOKYO TANABE COMPANY LIMITED (JP) 1997-10-14 US disclosed
EP-0721949-A1 INDOLINE COMPOUND AND 5-HT 3? RECEPTOR ANTAGONIST CONTAINING THE SAME AS ACTIVE INGREDIENT TOKYO TANABE COMPANY LIMITED (JP) 1996-07-17 EP disclosed