SCHEMBL1963992

SCHEMBL1963992

COC(=O)c1cc2c(O)c3ccc(C(F)(F)F)cc3n2n(Cc2ccc(F)cc2)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
P2RX7 Q99572 1/20 0.39
EGLN2 Q96KS0 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
EGLN3 Q9H6Z9 1/20 0.39
MAPT P10636 2/20 0.39
CFTR P13569 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
SRC P12931 1/20 0.35
PRKACA P17612 1/20 0.35
PRKACG P22612 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
SCHEMBL1964132 0.85 KMT2A (0.45) KDM4ESMN1; SMN2P2RX7MAPTALDH1A1
SCHEMBL1968792 0.85 EGLN1 (0.40) KDM4EHDAC1HDAC8HDAC6EGLN2
SCHEMBL1969288 0.84 EGLN1 (0.53) HDAC1HDAC8HDAC6EGLN2EGLN1
SCHEMBL1965300 0.84 P2RX7 (0.42) KDM4ESMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL3725348 0.81 KDM4E (0.40) KDM4ESMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL1967018 0.71 L3MBTL1 (0.44) KDM4EEGLN1ALDH1A1MEN1KMT2A
SCHEMBL3732846 0.70 EGLN1 (0.38) KDM4ESMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL3732845 0.70 EGLN1 (0.38) KDM4ESMN1; SMN2HDAC1HDAC8HDAC6
SCHEMBL1964633 0.70 MAPT (0.40) KDM4ESMN1; SMN2MAPTALDH1A1MEN1
SCHEMBL3730753 0.70 EGLN1 (0.53) EGLN2EGLN1EGLN3

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-2334682-A1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS Fibrogen, Inc. (US) 2011-06-22 EP disclosed
WO-2010022240-A1 PYRROLO [ 1, 2 -B] PYRIDAZINE DERIVATIVES AND THEIR USE AS HIF MODULATORS FIBROGEN, INC. (US) 2010-02-25 WO disclosed