SCHEMBL12503258

SCHEMBL12503258

COC(=O)C1CCc2ccncc2N1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.42
KMT2A Q03164 1/20 0.38
LATS1 O95835 1/20 0.37
SMYD3 Q9H7B4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
NAMPT P43490 5/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
FDPS P14324 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
BACE1 P56817 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
SCHEMBL4580336 0.89 IGF1R (0.44) IGF1RKMT2ALATS1SMYD3KDM4E
SCHEMBL22411406 0.82 MAPT (0.41) SMYD3KDM4ENAMPTCHRNB2CHRNA7
SCHEMBL17541892 0.81 SMYD3 (0.39) SMYD3NAMPTCHRNB2CHRNA7CHRNA4
Hydrochloric Acid SCHEMBL21545777 0.80 SMYD3 (0.39) SMYD3NAMPTCHRNB2CHRNA7CHRNA4
SCHEMBL30357995 0.80 SMYD3 (0.56) IGF1RKMT2ASMYD3KDM4EALDH1A1
SCHEMBL8567081 0.80 SMYD3 (0.56) IGF1RKMT2ASMYD3KDM4EALDH1A1
SCHEMBL926907 0.80 SMYD3 (0.56) IGF1RKMT2ASMYD3KDM4EALDH1A1
SCHEMBL7433964 0.80 SMYD3 (0.56) IGF1RKMT2ASMYD3KDM4EALDH1A1
Hydrochloric Acid SCHEMBL5424922 0.78 SMYD3 (0.54) IGF1RKMT2ASMYD3KDM4EALDH1A1
SCHEMBL13604128 0.78 NAMPT (0.42) IGF1RKMT2ALATS1KDM4ENAMPT

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-2670750-A1 NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) HYDROXYLASE Fibrogen, Inc. (US) 2013-12-11 EP disclosed
WO-2012106472-A1 NAPHTHYRIDINE DERIVATIVES AS INHIBITORS OF HYPOXIA INDUCIBLE FACTOR (HIF) HYDROXYLASE FIBROGEN, INC. (US) 2012-08-09 WO disclosed