SCHEMBL638787

SCHEMBL638787

O=C(NCCc1cc[nH]n1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 5/20 0.51
RAB9A P51151 8/20 0.50
NPC1 O15118 7/20 0.50
PRSS1 P07477 1/20 0.50
CTSG P08311 1/20 0.50
CTRB1 P17538 1/20 0.50
CMA1 P23946 1/20 0.50
HPGD P15428 2/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ESRRG P62508 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
LMNA P02545 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 2/20 0.47

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
SCHEMBL29410994 0.90 NPC1 (0.54) SMN1; SMN2RAB9ANPC1PRSS1CTSG
SCHEMBL6510429 0.84 HPGD (0.51) SMN1; SMN2RAB9ANPC1PRSS1CTSG
SCHEMBL9229356 0.80 ALDH1A1 (0.49) SMN1; SMN2RAB9ANPC1HPGDLMNA
SCHEMBL22722613 0.77 BRD4 (0.66) MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL7160197 0.76 ALDH1A1 (0.48) SMN1; SMN2GAA
SCHEMBL483578 0.75 RAB9A (0.74) MAPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL1300262 0.75 MAPT (0.52) MAPTSMN1; SMN2RAB9ANPC1HPGD
SCHEMBL3192014 0.74 LMNA (0.77) SMN1; SMN2RAB9ANPC1PRSS1CTSG
SCHEMBL751214 0.73 HDAC2 (0.80) MAPTSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL669816 0.73 RAB9A (0.55) SMN1; SMN2RAB9ANPC1KMT2AMEN1

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-2885970-A1 Fungicide compositions comprising compound I, at least one succinate dehydrogenase (SDH) inhibitor and at least one triazole fungicide Bayer CropScience AG (DE) 2015-06-24 EP disclosed
EP-2420142-A1 Use of N-2-(pyrazolyl)ethylphenylcarboxamides or their salts for controlling powdery mildew primary infections Bayer CropScience AG (DE) 2012-02-22 EP disclosed
EP-2420142-A1 Use of N-2-(pyrazolyl)ethylphenylcarboxamides or their salts for controlling powdery mildew primary infections Bayer CropScience AG (DE) 2012-02-22 EP disclosed