SCHEMBL9843067

SCHEMBL9843067

NC(=NCc1ccccn1)N[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL27887659 0.77 GRIN2B (0.56) POLB
Hydrochloric Acid SCHEMBL11297441 0.77 LMNA (0.45) L3MBTL1SMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL9843115 0.75 POLB (0.42) POLBSMN1; SMN2NPC1
SCHEMBL3910519 0.74 HRH4 (0.62) L3MBTL1SMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL25439793 0.74 ADRA2A (0.39) KMT2AL3MBTL1SMN1; SMN2ADRA2AADRA2B
Hydrochloric Acid SCHEMBL538727 0.73 GRIN2D (0.63) L3MBTL1SMN1; SMN2ADRA2AADRA2BADRA2C
Hydrochloric Acid SCHEMBL7677579 0.70 LMNA (0.47) L3MBTL1SMN1; SMN2ADRA2AADRA2BADRA2C
SCHEMBL11363646 0.69 MEN1 (0.36) KMT2AMEN1
SCHEMBL1259299 0.68 SMN1; SMN2 (0.49) POLBSMN1; SMN2CYP1A2NPC1RAB9A
SCHEMBL11377489 0.68 MEN1 (0.39) KMT2AMEN1

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
EP-0418199-A2 Guanidine derivatives CIBA-GEIGY AG (CH) 1991-03-20 EP claimed
CN-1050186-A Guanidine derivative CIBA GEIGY AG (CH) 1991-03-27 CN disclosed
EP-0418199-A2 Guanidine derivatives CIBA-GEIGY AG (CH) 1991-03-20 EP disclosed