SCHEMBL28036739

SCHEMBL28036739

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

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.37
PGR P06401 6/20 0.35
MARK3 P27448 8/20 0.33
MARK4 Q96L34 4/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTR7 P34969 1/20 0.32
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) CRHR1PGRMARK3MARK4
SCHEMBL28014458 0.79 CRHR1 (0.37) CRHR1PGRMARK3MARK4MEN1
SCHEMBL9470123 0.77 MARK3 (0.51) CRHR1PGRMARK3MARK4
SCHEMBL9469392 0.76 PGR (0.56) PGRMARK3MEN1KMT2A
SCHEMBL9469382 0.75 PGR (0.43) PGRMARK3
SCHEMBL9981596 0.73 PGR (0.57) PGRMARK3
SCHEMBL9470463 0.72 PGR (0.46) CRHR1PGRMARK3
SCHEMBL9469711 0.72 PGR (0.58) PGRMARK3
SCHEMBL9469799 0.72 PGR (0.58) PGRMARK3MEN1KMT2A
SCHEMBL1699202 0.72 PGR (0.43) PGRMARK3NPSR1KMT2A

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
CN-104918934-A 3-substituted pyrazoles and their use as DLK inhibitors HOFFMANN LA ROCHE 2015-09-16 CN disclosed