SCHEMBL9834832

SCHEMBL9834832

O=C(NC1CCCC2CCCCC21)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
POLB P06746 3/20 0.48
EPHX1 P07099 2/20 0.47
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
EPHX2 P34913 1/20 0.46
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL30583807 0.87 NPC1 (0.62) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL30583810 0.82 NPC1 (0.56) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL6904161 0.81 NPC1 (0.59) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL6904159 0.81 NPC1 (0.59) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL9833804 0.81 RAB9A (0.44) NPC1RAB9AKMT2AEPHX1ALDH1A1
SCHEMBL13156519 0.81 NPC1 (0.52) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL3089032 0.81 NPC1 (0.52) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL7735034 0.80 NPC1 (0.51) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL9835734 0.80 KMT2A (0.66) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL30583808 0.79 MMP2 (0.56) NPC1RAB9AMEN1KMT2APOLB

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