SCHEMBL27706010

SCHEMBL27706010

CC1SC(CC2CCCC2)CC1=O

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
KMT2A Q03164 1/20 0.35
MAPT P10636 1/20 0.31
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL27726622 0.98 KMT2A (0.38) CA1CA2CA4KMT2AMAPT
SCHEMBL5263963 0.74
SCHEMBL27766710 0.73
SCHEMBL27766709 0.68 CHRM2 (0.35) KMT2A
SCHEMBL27726585 0.68 TP53 (0.33) KMT2AMAPTNOS1NOS2
SCHEMBL27705954 0.67 RECQL (0.33)
SCHEMBL28041566 0.65
SCHEMBL27626800 0.64 ACE (0.42) CA2KMT2ANOS1NOS2
SCHEMBL4752267 0.64
SCHEMBL27726810 0.63 SMN1; SMN2 (0.35)

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
CN-101198614-B Thienopyrimidine derivative ASKA PHARM CO LTD 2011-07-06 CN disclosed
CN-101557826-A Therapeutic agent for urinary tract disease ASKA PHARM CO LTD (JP) 2009-10-14 CN disclosed
CN-101198614-A Thienopyrimidine derivative ASKA PHARM CO LTD (JP) 2008-06-11 CN disclosed