SCHEMBL6314570

SCHEMBL6314570

COC1(F)C=CC=CC1C1(CC(O)(CNc2cccc3ncccc23)C(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 11/20 0.53
PGR P06401 1/20 0.47
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
RECQL P46063 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX7 Q99572 1/20 0.34
CRHR1 P34998 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
SCHEMBL6314574 0.72 NR3C1 (0.59) NR3C1PGRALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4820213 0.71 NR3C1 (0.68) NR3C1PGRSMN1; SMN2L3MBTL1P2RX7
SCHEMBL6314576 0.71 NR3C1 (0.65) NR3C1PGRSMN1; SMN2L3MBTL1P2RX7
SCHEMBL809123 0.69 NR3C1 (1.00) NR3C1PGR
SCHEMBL5205603 0.69 NR3C1 (0.66) NR3C1PGRP2RX7CRHR1
SCHEMBL2143635 0.68 NR3C1 (1.00) NR3C1PGR
SCHEMBL3649830 0.67 NR3C1 (0.69) NR3C1PGRMEN1KMT2ACRHR1
SCHEMBL6320917 0.66 NR3C1 (0.45) NR3C1PGRALDH1A1
SCHEMBL821997 0.66 NR3C1 (0.56) NR3C1PGRSMN1; SMN2TRPV1MEN1
SCHEMBL4195130 0.64 NR3C1 (1.00) NR3C1PGR

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
US-6897224-B2 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2005-05-24 US disclosed
US-20040116694-A1 Quinoline and isoquinoline derivatives, a process for their production and their use as inflammation inhibitors SCHERING AG (DE) 2004-06-17 US disclosed