SCHEMBL7890891

SCHEMBL7890891

N/C(Cc1ccccn1)=C(/N)Cc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.54
LMNA P02545 1/20 0.52
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
ADRA2A P08913 2/20 0.47
ADRA2B P18089 2/20 0.47
ADRA2C P18825 2/20 0.47
MAPT P10636 1/20 0.47
LIN28A Q9H9Z2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PLAU P00749 1/20 0.47
PARP10 Q53GL7 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
GRIN2C Q14957 1/20 0.46
GRIN3A Q8TCU5 1/20 0.46

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
SCHEMBL7890898 1.00 HRH1 (0.54) HRH1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL6237462 0.83 HRH1 (0.50) HRH1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL5850990 0.83 HRH1 (0.50) HRH1LMNARAB9ANPC1SMN1; SMN2
SCHEMBL30940202 0.83 HRH1 (0.50) HRH1LMNARAB9ANPC1SMN1; SMN2
Pyridine Acetamide SCHEMBL176893 0.83 RAB9A (0.54) HRH1LMNARAB9ANPC1SMN1; SMN2
Pyridine Acetamide SCHEMBL29431271 0.83 RAB9A (0.54) HRH1LMNARAB9ANPC1SMN1; SMN2
Pyridine Acetamide SCHEMBL5709841 0.81 RAB9A (0.53) HRH1LMNARAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL6990559 0.81 LMNA (0.51) HRH1LMNARAB9ANPC1SMN1; SMN2
Pyridine Acetamide SCHEMBL3723681 0.81 RAB9A (0.53) HRH1LMNARAB9ANPC1SMN1; SMN2
Pyridine Acetamide SCHEMBL7432558 0.81 RAB9A (0.53) HRH1LMNARAB9ANPC1SMN1; SMN2

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-1129170-A1 BLEACH AND OXIDATION CATALYST UNILEVER PLC (GB) 2001-09-05 EP disclosed
WO-2000027976-A1 BLEACH AND OXIDATION CATALYST UNILEVER PLC (GB) 2000-05-18 WO disclosed
WO-2000027975-A1 DETERGENT BLEACHING COMPOSITION UNILEVER PLC (GB) 2000-05-18 WO disclosed