SCHEMBL9525958

SCHEMBL9525958

C=CCN(N)c1nc(NN)nc(NN)n1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CRHR1 P34998 1/20 0.31

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
SCHEMBL10960403 0.90
SCHEMBL6678698 0.74 CASP1 (0.30)
SCHEMBL669412 0.66 KDM4E (0.34) GAAMAPT
SCHEMBL36741 0.65 MAPT (0.58) GAAL3MBTL1MAPTSMN1; SMN2
SCHEMBL8353255 0.63 GAA (0.59) GAACYP1A2CYP2C19L3MBTL1MAPT
SCHEMBL1331026 0.63 MAPT (0.37) GAACYP1A2CYP2C19L3MBTL1MAPT
SCHEMBL14236896 0.61 CRHR1 (0.43) GAACYP1A2CYP2C19L3MBTL1MAPT
SCHEMBL24409183 0.61 GAA (0.44) GAACYP1A2CYP2C19L3MBTL1MAPT
SCHEMBL11688741 0.60 MAPT (0.46) GAACYP1A2CYP2C19L3MBTL1MAPT
SCHEMBL14236949 0.59 GAA (0.42) GAACYP1A2CYP2C19L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4670558-A POLYURETHANE INTERMEDIATES BASF AKTIENGESELLSCHAFT (DE) 1987-06-02 US claimed
EP-0179408-B1 AMIDOALKYL MELAMINES AND AMINOALKYL MELAMINES, AND PROCESS FOR THEIR PREPARATION BASF Aktiengesellschaft (DE) 1993-09-08 EP disclosed
EP-0179408-A2 Amidoalkyl melamines and aminoalkyl melamines, and process for their preparation BASF Aktiengesellschaft (DE) 1986-04-30 EP disclosed