SCHEMBL11567985

SCHEMBL11567985

C1=CN=C(c2ccccc2)c2ccccc2N=C1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.41
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
NOTUM Q6P988 1/20 0.30
POLB P06746 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
SCHEMBL11567982 1.00 IDO1 (0.41) IDO1LMNAGAAMAPTL3MBTL1
SCHEMBL18977949 0.68 IDO1 (0.69) IDO1LMNAGAAMAPTL3MBTL1
SCHEMBL11040669 0.67 IDO1 (0.47) IDO1LMNAGAAMAPTL3MBTL1
SCHEMBL30816755 0.66 MEN1 (0.33) IDO1LMNAGAAMAPTL3MBTL1
SCHEMBL3629164 0.65 IDO1 (0.48) IDO1LMNAGAAMAPTL3MBTL1
SCHEMBL17321751 0.65 IDO1 (0.64) IDO1LMNAGAAMAPTL3MBTL1
SCHEMBL17321749 0.65 IDO1 (0.64) IDO1LMNAGAAMAPTL3MBTL1
SCHEMBL30218263 0.63 TRPA1 (0.32) MAPTNOTUM
SCHEMBL29394860 0.63 TRPA1 (0.32) MAPTNOTUM
SCHEMBL30816757 0.63 IDO1 (0.69) IDO1LMNAGAAMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0004024-A2 Method for preparing 3-hydroxy-6-phenyl-1,2,3,4-tetrahydro-1,5-benzodiazocines Kali-Chemie Pharma GmbH (DE) 1979-09-19 EP disclosed