SCHEMBL17817952

SCHEMBL17817952

CC(C)(C)c1cn(-c2ccc(F)cc2)c2cnc(C(=O)O)c(O)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.35
KCNH2 Q12809 4/20 0.34
LMNA P02545 3/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
HPGD P15428 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
TP53 P04637 1/20 0.32
EGLN2 Q96KS0 1/20 0.32
MEN1 O00255 1/20 0.32
GRM5 P41594 1/20 0.32
ABCB1 P08183 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 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
SCHEMBL2882379 0.85 NPC1 (0.49) KMT2ALMNAKDM4EGABRA2GABRB2
SCHEMBL2886335 0.67 EGLN1 (0.50) EGLN1
SCHEMBL17817946 0.64 EGLN1 (0.37) LMNAEGLN1TP53
SCHEMBL14394886 0.64 EGLN1 (0.37) KMT2ALMNAEGLN1TP53RAB9A
SCHEMBL4807840 0.63 EGLN1 (0.58) LMNAEGLN1RAB9A
SCHEMBL2739957 0.62 KMT2A (0.42) KMT2ALMNAKDM4ETP53PTGS1
SCHEMBL23147891 0.61 NOTUM (0.49) KMT2ALMNAKDM4EHPGDMEN1
SCHEMBL2287453 0.60 KMT2A (0.50) KMT2ALMNAKDM4ETP53
SCHEMBL2881961 0.59 GABRA2 (0.54) KMT2ALMNAKDM4EGABRA2GABRB2
SCHEMBL15603237 0.59 PKM (0.59) KMT2ALMNAKDM4EHPGDTP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3124489-B1 THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN INC (US) 2020-07-15 EP disclosed
EP-3124489-A1 THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS Fibrogen, Inc. (US) 2017-02-01 EP disclosed
EP-2016078-B1 PYRROLO- AND THIAZOLO-PYRIDINE COMPOUNDS AS HIF MODULATORS FIBROGEN INC (US) 2016-06-15 EP disclosed