SCHEMBL3989544

SCHEMBL3989544

C=C(OCC)c1ccnnc1-c1cccnn1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.40
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30
HTR2C P28335 1/20 0.30

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
SCHEMBL506635 0.73 CTDSP1 (0.50) CTDSP1TSHR
SCHEMBL22978628 0.71 KDM4E (0.34) CTDSP1TSHR
SCHEMBL31540721 0.68 NAPRT (0.47) LMNATSHR
SCHEMBL26081244 0.68 TSHR (0.46) CTDSP1TSHR
SCHEMBL30937589 0.67 CTDSP1 (0.36) CTDSP1
SCHEMBL20599367 0.65 CYP2C19 (0.49) LMNA
SCHEMBL8296523 0.65 NAPRT (0.47) TSHR
SCHEMBL30633444 0.63 GOT1 (0.34) HTR2C
SCHEMBL10922835 0.63 SMN1; SMN2 (0.40) CTDSP1LMNA
SCHEMBL10925879 0.63 PDE4D (0.40) CTDSP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069345-A2 PYRIDAZINE AND PYRROLE COMPOUNDS, PROCESSES FOR OBTAINING THEM AND USES Centre National de la Recherche Scientifique (CNRS) (FR) 2009-06-17 EP disclosed
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 disclosed
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 disclosed
WO-2008012440-A2 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 disclosed