SCHEMBL6424005

SCHEMBL6424005

Cc1cc2c(cc1C)C(C)N(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.48
KMT2A Q03164 5/20 0.44
NR1H2 P55055 1/20 0.42
MEN1 O00255 2/20 0.40
ESR2 Q92731 1/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
GHSR Q92847 3/20 0.39

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
SCHEMBL6422682 0.86 MAOA (0.52) SMN1; SMN2KMT2ANR1H2MEN1ESR2
SCHEMBL7619697 0.84 SMN1; SMN2 (0.70) SMN1; SMN2KMT2AMEN1NPC1POLB
SCHEMBL18617672 0.84 LMNA (0.45) SMN1; SMN2KMT2ANR1H2MEN1ESR2
SCHEMBL31505338 0.82 ESR2 (0.56) SMN1; SMN2NR1H2ESR2GHSR
SCHEMBL21470623 0.82 ESR2 (0.56) SMN1; SMN2KMT2ANR1H2ESR2NPC1
SCHEMBL24528817 0.82 ESR2 (0.56) SMN1; SMN2NR1H2ESR2GHSR
SCHEMBL30645355 0.82 ESR2 (0.56) SMN1; SMN2NR1H2ESR2GHSR
SCHEMBL21470624 0.82 ESR2 (0.56) SMN1; SMN2KMT2ANR1H2ESR2NPC1
SCHEMBL31505332 0.82 ESR2 (0.56) SMN1; SMN2NR1H2ESR2GHSR
SCHEMBL31505408 0.82 ESR2 (0.56) SMN1; SMN2NR1H2ESR2GHSR

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-1057814-B1 TETRAHYDROBENZINDOLE DERIVATIVES MEIJI SEIKA KAISHA (JP) 2005-03-09 EP disclosed