SCHEMBL12986367

SCHEMBL12986367

C[C@H](CCCc1ccccc1)NC(N)=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
KMT2A Q03164 4/20 0.56
HPGD P15428 3/20 0.56
HTT P42858 2/20 0.56
MEN1 O00255 1/20 0.56
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
EPHX2 P34913 2/20 0.51
CYP2C9 P11712 4/20 0.51
CYP2C19 P33261 4/20 0.51
CYP1A2 P05177 2/20 0.51
POLB P06746 2/20 0.51
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CYP2D6 P10635 1/20 0.50
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL11632860 0.90 SMN1; SMN2 (0.69) SMN1; SMN2KMT2AHPGDHTTMEN1
SCHEMBL18112724 0.81 GRIK1 (0.51)
SCHEMBL2432245 0.80 NPC1 (0.73) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
SCHEMBL3403500 0.79 CNR2 (0.52) SMN1; SMN2KMT2AHPGDHTTMEN1
SCHEMBL24814118 0.79 MMP1 (0.57) KMT2ACYP2C9CYP2C19CYP2D6
SCHEMBL7598869 0.78 TSHR (0.51) SMN1; SMN2KMT2AHPGDALDH1A1CYP2C9
SCHEMBL27962256 0.78 CTSK (0.56) SMN1; SMN2KMT2AHPGDHTTMEN1
SCHEMBL6996053 0.78 SIGMAR1 (0.51) SMN1; SMN2KMT2AMEN1ALDH1A1NPC1
SCHEMBL2543476 0.76 SMN1; SMN2 (0.73) SMN1; SMN2KMT2AHPGDHTTMEN1
SCHEMBL25139695 0.76 CYP2D6 (0.56) SMN1; SMN2KMT2ACYP2C9CYP2C19CYP2D6

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-2694067-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE Æterna Zentaris GmbH (DE) 2014-02-12 EP disclosed
WO-2012136691-A1 PYRIDOPYRAZINE DERIVATIVES AND THEIR USE ÆTERNA ZENTARIS GMBH (DE) 2012-10-11 WO disclosed