SCHEMBL17029485

SCHEMBL17029485

[N-]=[N+]=NC1CCOC(c2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
CYP1B1 Q16678 2/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ATM Q13315 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL17710180 0.76 MAPT (0.40) TSHRCYP1A2MEN1POLBKMT2A
SCHEMBL17710174 0.76 PARP1 (0.37) KMT2AALDH1A1HPGD
SCHEMBL16404557 0.75 CHRM2 (0.35)
SCHEMBL15424419 0.74 TSHR (0.40) TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL1195857 0.73 TSHR (0.64) TSHRSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL13934947 0.70 MEN1 (0.44) TSHRCYP1B1CYP1A1CYP1A2MEN1
SCHEMBL18387696 0.69 TSHR (0.48) TSHRSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL8675407 0.69 TSHR (0.48) TSHRSLC6A2SLC6A4SLC6A3CYP1A2
SCHEMBL1396587 0.69 TSHR (0.48) TSHRSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL8768288 0.69 TSHR (0.48) TSHRSLC6A2SLC6A4SLC6A3MEN1

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
US-9271967-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2016-03-01 US disclosed
US-9271967-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2016-03-01 US disclosed
EP-2649069-B1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2015-08-26 EP disclosed
WO-2012062750-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals, Inc. (US) 2012-05-18 WO disclosed