SCHEMBL11244909

SCHEMBL11244909

N#CN=C(Nc1ccccc1O)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
KMT2A Q03164 4/20 0.40
GAA P10253 4/20 0.36
MEN1 O00255 2/20 0.36
NPC1 O15118 3/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 4/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.34
KDM1A O60341 1/20 0.34
KDM4A O75164 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL11244903 1.00 HPGD (0.41) HPGDKMT2AGAAMEN1NPC1
SCHEMBL11265655 0.85 KCNMA1 (0.48) HPGDKMT2AGAAMEN1NPC1
SCHEMBL11265652 0.85 KCNMA1 (0.48) HPGDKMT2AGAAMEN1NPC1
SCHEMBL11246811 0.84 CA12 (0.40) KMT2AMAPTKDM4E
SCHEMBL11246823 0.84 CA12 (0.40) KMT2AMAPTKDM4E
SCHEMBL14257534 0.84 KMT2A (0.47) HPGDKMT2AGAAMEN1NPC1
SCHEMBL14267810 0.84 KMT2A (0.39) KMT2AMEN1POLB
SCHEMBL14257580 0.84 NPC1 (0.46) HPGDKMT2AGAANPC1RAB9A
SCHEMBL4777719 0.84 RAB9A (0.43) HPGDKMT2AMEN1NPC1ALOX15
SCHEMBL3644300 0.84 KMT2A (0.47) HPGDKMT2AGAAMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4321393-A Method for preparing 2-cyanamidobenzimidazoles or 2-cyanamidobenzoxazoles SMITHKLINE CORPORATION (US) 1982-03-23 US disclosed
US-4285878-A N-Phenyl-N'-cyano-O-phenylisoureas SMITHKLINE CORPORATION (US) 1981-08-25 US disclosed