SCHEMBL10894672

SCHEMBL10894672

COc1ccc(CN2CCS/C2=N/C#N)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 11/20 0.67
PDE4D Q08499 4/20 0.67
MEN1 O00255 1/20 0.62
CHRNA7 P36544 1/20 0.62
KMT2A Q03164 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
POLB P06746 1/20 0.49
GAA P10253 3/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL10894675 1.00 PDE4B (0.67) PDE4BPDE4DMEN1CHRNA7KMT2A
SCHEMBL10896446 0.85 MEN1 (0.67) PDE4BPDE4DMEN1CHRNA7KMT2A
SCHEMBL13596875 0.83 MEN1 (0.72) PDE4BPDE4DMEN1CHRNA7KMT2A
SCHEMBL10896891 0.83 MEN1 (0.72) PDE4BPDE4DMEN1CHRNA7KMT2A
SCHEMBL10897934 0.82 MEN1 (0.67) PDE4BPDE4DMEN1CHRNA7KMT2A
SCHEMBL10897929 0.82 MEN1 (0.67) PDE4BPDE4DMEN1CHRNA7KMT2A
SCHEMBL25003079 0.82 MEN1 (0.66) PDE4BPDE4DMEN1CHRNA7KMT2A
SCHEMBL9818814 0.82 MEN1 (0.66) PDE4BPDE4DMEN1CHRNA7KMT2A
SCHEMBL10896614 0.79 MEN1 (0.66) PDE4BPDE4DMEN1CHRNA7KMT2A
SCHEMBL10896612 0.79 MEN1 (0.66) PDE4BPDE4DMEN1CHRNA7KMT2A

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
US-4616025-A ANTIULCER AGENTS RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1986-10-07 US disclosed