SCHEMBL4378770

SCHEMBL4378770

COc1cc(C)cc2c1C(C)(C)CC(O)(C(F)(F)F)C2Nc1nn(C)c(=O)c2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 3/20 0.40
PGR P06401 2/20 0.40
AR P10275 2/20 0.40
KAT2B Q92831 10/20 0.38
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL3532056 0.86 NR3C1 (0.44) NR3C1PGRARLMNASMN1; SMN2
SCHEMBL4370800 0.83 NR3C1 (0.42) NR3C1PGRARKAT2BMEN1
SCHEMBL4372230 0.82 NR3C1 (0.45) NR3C1PGRARKAT2BMEN1
SCHEMBL3548066 0.82 NR3C1 (0.47) NR3C1PGRARKAT2BMEN1
SCHEMBL3533194 0.76 NR3C1 (0.49) NR3C1PGRARLMNASMN1; SMN2
SCHEMBL3536065 0.73 NR3C1 (0.39) NR3C1PGRAR
SCHEMBL332023 0.72 NR3C1 (0.45) NR3C1PGRAR
SCHEMBL4536811 0.72 NR3C1 (0.44) NR3C1PGRARKAT2BMEN1
SCHEMBL3538995 0.71 NR3C1 (0.47) NR3C1PGRAR
SCHEMBL3534214 0.71 NR3C1 (0.44) NR3C1PGRAR

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-7638515-B2 improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-29 US claimed