SCHEMBL2474451

SCHEMBL2474451

Cn1nc(C(F)(F)F)cc1-c1cccc2c(O)c(C(=O)NCC(=O)O)c(=O)sc12.O=C(O)CNC(=O)c1c(O)c2cccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2sc1=O

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 6/20 0.39
EGLN2 Q96KS0 4/20 0.39
EGLN3 Q9H6Z9 4/20 0.39
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
TACR1 P25103 1/20 0.35

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
SCHEMBL2518895 0.94 EGLN1 (0.37) EGLN1EGLN2EGLN3KDM4EALDH1A1
SCHEMBL2471307 0.94 EGLN1 (0.42) EGLN1EGLN2EGLN3HDAC3HDAC4
SCHEMBL2469234 0.88 EGLN2 (0.45) EGLN1EGLN2EGLN3
SCHEMBL2473839 0.81 EGLN1 (0.43) EGLN1EGLN2EGLN3HDAC3HDAC4
SCHEMBL2470821 0.81 EGLN1 (0.45) EGLN1EGLN2EGLN3HDAC3HDAC4
SCHEMBL2761588 0.80 EGLN1 (0.44) EGLN1EGLN2EGLN3
SCHEMBL2497884 0.78 EGLN1 (0.42) EGLN1EGLN2EGLN3HDAC3HDAC4
SCHEMBL28019091 0.76 HDAC3 (0.38) EGLN2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2471950 0.75 EGLN1 (0.46) EGLN1EGLN2EGLN3
SCHEMBL2470202 0.75 EGLN1 (0.46) EGLN1

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
EP-2370422-A1 THIOCHROMENE DERIVATIVES AS HIP HYDROXYLASE INHIBITORS Fibrogen, Inc. (US) 2011-10-05 EP disclosed
WO-2010056767-A1 THIOCHROMENE DERIVATIVES AS HIP HYDROXYLASE INHIBITORS FIBROGEN, INC. (US) 2010-05-20 WO disclosed