SCHEMBL7005241

SCHEMBL7005241

O=C1c2ccccc2C(=O)N1CCCOc1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 3/20 0.51
LMNA P02545 1/20 0.51
AGTR1 P30556 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.48
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.43
PRKDC P78527 1/20 0.43
PKM P14618 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 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
SCHEMBL10959880 0.86 RAB9A (0.57) RAB9AMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL30020898 0.85 RAB9A (0.60) RAB9AMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL28609095 0.85 RAB9A (0.60) RAB9AMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL7496666 0.83 RAB9A (0.66) RAB9AMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL12661105 0.81 RAB9A (0.55) RAB9AMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL18263482 0.80 RAB9A (0.61) RAB9AMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL10953577 0.80 RAB9A (0.49) RAB9AMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL9337119 0.80 RAB9A (0.68) RAB9AMAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL7530393 0.80 RAB9A (0.60) RAB9AMAPTSMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL10959445 0.79 RAB9A (0.63) RAB9AMAPTSMN1; SMN2ALDH1A1LMNA

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-0978506-B1 2-PHENOXYANILINE DERIVATIVES TAISHO PHARMACEUTICAL CO LTD (JP) 2003-01-08 EP disclosed
US-6156801-A 2-phenoxyaniline derivatives TAISHO PHARMACEUTICAL CO., LTD. (JP) 2000-12-05 US disclosed
EP-0978506-A1 2-PHENOXYANILINE DERIVATIVES TAISHO PHARMACEUTICAL CO., LTD (JP) 2000-02-09 EP disclosed