SCHEMBL6296162

SCHEMBL6296162

O=C(NCC1CCC(C(=O)O)CC1)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
VCP P55072 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
EPHX1 P07099 2/20 0.51
POLB P06746 2/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 3/20 0.49
EPHX2 P34913 1/20 0.48

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
SCHEMBL6302147 0.88 NAMPT (0.54) NAMPTNPC1MEN1KMT2AVCP
SCHEMBL8600776 0.83 EPHX1 (0.73) NPC1RAB9AMEN1KMT2AVCP
SCHEMBL8600781 0.83 EPHX1 (0.73) NPC1RAB9AMEN1KMT2AVCP
SCHEMBL6302405 0.81 EPHX1 (0.73) NAMPTNPC1RAB9AMEN1KMT2A
SCHEMBL14534739 0.79 ALDH1A1 (0.54) NAMPTNPC1RAB9AMEN1KMT2A
SCHEMBL3334590 0.79 MGLL (0.52) NAMPTVCPSMN1; SMN2HTTALDH1A1
SCHEMBL4798640 0.77 VCP (0.50) VCPSMN1; SMN2ALDH1A1
SCHEMBL10639382 0.77 VCP (0.50) VCPSMN1; SMN2ALDH1A1
Ammonia Solution, Strong SCHEMBL4804478 0.76 VCP (0.49) VCPSMN1; SMN2ALDH1A1
SCHEMBL9178993 0.75 EPHX1 (0.84) NPC1RAB9AMEN1KMT2ASMN1; 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
US-6875764-B1 Urea and thiourea compounds useful for treatment of coccidiosis NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-04-05 US disclosed
EP-1224165-A1 NOVEL COMPOUNDS New Pharma Research Sweden AB (SE) 2002-07-24 EP disclosed
WO-2001030749-A1 NOVEL COMPOUNDS NEW PHARMA RESEARCH SWEDEN AB (SE) 2001-05-03 WO disclosed