SCHEMBL28014458

SCHEMBL28014458

CC1(C)C(=O)N(Cl)c2ncccc21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.37
PGR P06401 6/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MARK3 P27448 8/20 0.33
MARK4 Q96L34 4/20 0.33
ELANE P08246 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL3519201 0.81 LMNA (0.37) CRHR1PGRLMNAGAAMARK3
SCHEMBL28036739 0.79 CRHR1 (0.37) CRHR1PGRMARK3MARK4MEN1
SCHEMBL9470123 0.77 MARK3 (0.51) CRHR1PGRMARK3MARK4
SCHEMBL9469392 0.76 PGR (0.56) PGRGAAMARK3ELANEMEN1
SCHEMBL9470463 0.75 PGR (0.46) CRHR1PGRMARK3ELANE
SCHEMBL9469711 0.75 PGR (0.58) PGRMARK3ELANE
SCHEMBL9469933 0.73 PGR (0.60) CRHR1PGRGAAMARK3ELANE
SCHEMBL9981596 0.73 PGR (0.57) PGRMARK3ELANE
SCHEMBL9470419 0.72 PGR (0.43) PGRMARK3ELANEMEN1KMT2A
SCHEMBL9469799 0.72 PGR (0.58) PGRMARK3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105555780-A Syk inhibitors GILEAD SCIENCES INC 2016-05-04 CN disclosed
CN-104619701-A 2-oxo-2,3-dihydro-indoles for the treatment of cns disorders HOFFMANN LA ROCHE 2015-05-13 CN disclosed