SCHEMBL13977937

SCHEMBL13977937

C=N/C(=N\N=C(/N)c1ccncc1)c1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.39
RAB9A P51151 5/20 0.39
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 6/20 0.36
PLG P00747 1/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL21658656 0.84 NPC1 (0.48) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL13978226 0.81 KMT2A (0.45) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL13977940 0.78 NOS1 (0.43) LMNAKMT2AMAPTGAAPOLB
SCHEMBL13977929 0.76 F7 (0.47) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL23183202 0.72 NAPRT (0.38) NPC1KMT2AGAAMEN1KDM4E
SCHEMBL282987 0.69 KDM1A (0.53) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL834376 0.69 PLG (0.50) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL641911 0.69 KDM1A (0.53) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL282989 0.69 KDM1A (0.53) NPC1RAB9ALMNASMN1; SMN2KMT2A
SCHEMBL24170745 0.67 NPC1 (0.46) NPC1RAB9ALMNASMN1; SMN2KMT2A

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
WO-2012156920-A1 BIO-ORTHOGONAL DRUG ACTIVATION KONINKLIJKE PHILIPS ELECTRONICS N.V. (NL) 2012-11-22 WO disclosed