SCHEMBL9501876

SCHEMBL9501876

Nc1cccc([N+](=O)[O-])c1NCCO

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.51
GPR35 Q9HC97 1/20 0.46
PKM P14618 2/20 0.43
MAPT P10636 6/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 3/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KAT2B Q92831 2/20 0.41
PDE7A Q13946 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CTSD P07339 1/20 0.41
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL3669432 0.89 RAB9A (0.57) RAB9AGPR35PKMMAPTMEN1
SCHEMBL29162289 0.83 RAB9A (0.59) RAB9AGPR35PKMMAPTMEN1
SCHEMBL8748916 0.83 RAB9A (0.52) RAB9AGPR35PKMMAPTMEN1
SCHEMBL29566643 0.81 MAPT (0.60) RAB9AGPR35PKMMAPTMEN1
SCHEMBL308233 0.81 MAPT (0.60) RAB9AGPR35PKMMAPTMEN1
SCHEMBL309307 0.81 RAB9A (0.51) RAB9AGPR35PKMMAPTMEN1
SCHEMBL27988404 0.81 RAB9A (0.51) RAB9AGPR35PKMMAPTMEN1
SCHEMBL3041310 0.81 RAB9A (0.51) RAB9AGPR35PKMMAPTMEN1
SCHEMBL30120643 0.81 RAB9A (0.48) RAB9AGPR35PKMMAPTMEN1
SCHEMBL3666211 0.79 POLB (0.46) RAB9AMAPTMEN1KMT2AALDH1A1

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
WO-2008018827-A1 BENZIMIDAZOLE DERIVATIVES USEFUL IN TREATMENT OF VALLINOID RECEPTOR TRPV1 RELATED DISORDERS ASTRAZENECA AB (SE) 2008-02-14 WO disclosed
US-5186717-A Colorfastness, hair dyes L'OREAL (FR) 1993-02-16 US disclosed