SCHEMBL19112709

SCHEMBL19112709

CNNc1cccc2c1CCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.49
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SIGMAR1 Q99720 2/20 0.46
LMNA P02545 1/20 0.46
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
TSHR P16473 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43

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
SCHEMBL8312391 0.84 NISCH (0.51) NISCHALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL7905159 0.84 BCL2L1 (0.54) ALDH1A1MEN1KMT2ASIGMAR1LMNA
SCHEMBL3366873 0.80 ALDH1A1 (0.54) NISCHALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL20866604 0.78 ALDH1A1 (0.53) NISCHALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL11456138 0.77 NISCH (0.49) NISCHALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL4042587 0.76 SIGMAR1 (0.53) NISCHALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL25796675 0.76 SIGMAR1 (0.49) NISCHALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL12403846 0.76 NISCH (0.48) NISCHALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL12471303 0.76 HTT (0.54) NISCHALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL12101466 0.75 MEN1 (0.56) NISCHALDH1A1MEN1KMT2ASIGMAR1

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-2380879-B1 Tetrahydroindolone and tetrahydroindazolone derivatives ESANEX INC (US) 2017-07-12 EP disclosed