SCHEMBL3993003

SCHEMBL3993003

CCOC=Cc1ccc(-c2ccc(C=COCC)nn2)nn1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL12500625 0.81 APLNR (0.32) APLNRMEN1KMT2A
SCHEMBL12500624 0.81 APLNR (0.32) APLNRMEN1KMT2A
SCHEMBL16465581 0.81 NNMT (0.33) APLNRMEN1KMT2A
SCHEMBL14967249 0.74 MAPK1 (0.37) KMT2A
SCHEMBL16058474 0.70 HTR2A (0.34)
SCHEMBL4380612 0.69 NPC1 (0.56) MEN1KMT2A
SCHEMBL2226189 0.68
SCHEMBL16601169 0.68 LMNA (0.51) MEN1KMT2A
SCHEMBL28461359 0.68 CYP2D6 (0.36) KMT2A
SCHEMBL28461356 0.68 CYP2D6 (0.36) KMT2A

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-2061785-A2 LINEAR PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2009-05-27 EP claimed
WO-2008012441-A2 LINEAR PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-01-31 WO claimed