SCHEMBL9833804

SCHEMBL9833804

Nc1ccc(C(=O)NC2CCCC3CCCCC32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
CYP1A2 P05177 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MLYCD O95822 1/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 1/20 0.44
IKZF3 Q9UKT9 1/20 0.44
SSTR3 P32745 1/20 0.43
MAOA P21397 1/20 0.43
MAOB P27338 1/20 0.43
ALDH1A1 P00352 3/20 0.42
EPHX1 P07099 1/20 0.42
GAA P10253 1/20 0.42
MMP2 P08253 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP13 P45452 1/20 0.42

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
SCHEMBL30583802 0.86 SSTR3 (0.54) RAB9ANPC1CYP1A2HPGDCYP2C19
SCHEMBL7735034 0.85 NPC1 (0.51) RAB9ANPC1SMN1; SMN2SSTR3ALDH1A1
SCHEMBL22289342 0.83 MEN1 (0.61) RAB9ANPC1SMN1; SMN2ALDH1A1MMP2
SCHEMBL9834832 0.81 NPC1 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1EPHX1
SCHEMBL30583811 0.80 RAB9A (0.51) RAB9ANPC1CYP1A2HPGDCYP2C19
SCHEMBL14117665 0.80 HDAC4 (0.52) RAB9ANPC1CYP1A2HPGDCYP2C19
SCHEMBL12156531 0.79 RAB9A (0.62) RAB9ANPC1CYP1A2HPGDCYP2C19
SCHEMBL12156569 0.79 RAB9A (0.67) RAB9ANPC1CYP1A2HPGDCYP2C19
SCHEMBL3546724 0.78 RAB9A (0.70) RAB9ANPC1CYP1A2HPGDCYP2C19
SCHEMBL27916661 0.77 ALDH1A1 (0.41) RAB9ANPC1CYP1A2HPGDCYP2C19

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
EP-0211665-B1 BENZOYL-UREAS HAVING ACARICIDE AND INSECTICIDE ACTIVITY ISTITUTO GUIDO DONEGANI S.p.A. (IT) 1991-06-12 EP disclosed
EP-0211665-A2 Benzoyl-ureas having acaricide and insecticide activity ISTITUTO GUIDO DONEGANI S.p.A. (IT) 1987-02-25 EP disclosed