SCHEMBL17892124

SCHEMBL17892124

ClCc1ccc2c(cnn2-c2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMO Q99835 11/20 0.52
NR3C1 P04150 4/20 0.50
CYP11B2 P19099 1/20 0.44
PGR P06401 2/20 0.42
RECQL P46063 1/20 0.41
KHK P50053 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MGLL Q99685 1/20 0.40

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
SCHEMBL16300044 0.84 SMO (0.55) SMONR3C1CYP11B2PGRMGLL
SCHEMBL17892204 0.82 SMO (0.50) SMONR3C1CYP11B2PGRKHK
SCHEMBL4286821 0.82 SMO (0.53) SMONR3C1CYP11B2PGRMGLL
SCHEMBL17892218 0.81 SMO (0.49) SMONR3C1CYP11B2PGRKHK
SCHEMBL4274224 0.79 SMO (0.53) SMONR3C1
SCHEMBL4760701 0.79 SMO (0.56) SMONR3C1
SCHEMBL4283364 0.77 SMO (0.58) SMONR3C1MGLL
SCHEMBL22199134 0.77 NR3C1 (0.57) SMONR3C1CYP11B2PGRKHK
SCHEMBL30918005 0.76 CYP11B2 (0.72) SMONR3C1CYP11B2PGR
SCHEMBL30127430 0.76 NR3C1 (0.54) SMONR3C1CYP11B2PGRKHK

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
WO-2016109501-A1 AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed