SCHEMBL1679918

SCHEMBL1679918

Cc1cc([N+](=O)[O-])ccc1Oc1ccc(OC(F)(F)F)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.51
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 1/20 0.44
MAPT P10636 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
TSHR P16473 1/20 0.41
TBXA2R P21731 1/20 0.41
HSPB1 P04792 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 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
SCHEMBL10778509 0.88 PDE7A (0.45) PDE7AMEN1KMT2AGAAPKM
SCHEMBL10771835 0.86 HSPB1 (0.51) PDE7AMEN1KMT2AGAAPKM
SCHEMBL11159166 0.80 PDE7A (0.52) PDE7AMEN1KMT2AGAAPKM
SCHEMBL9203312 0.80 ALDH1A1 (0.55) MEN1KMT2AALDH1A1MAPTCYP1A2
SCHEMBL1780310 0.78 TDP1 (0.57) MEN1KMT2AGAAPKMALDH1A1
SCHEMBL10627888 0.78 FFAR4 (0.42) PDE7AFFAR1FFAR4CYP3A4
SCHEMBL9185260 0.78 ALDH1A1 (0.64) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL22114316 0.78 HPGD (0.56) PDE7AMEN1KMT2AGAAPKM
SCHEMBL11412090 0.78 TDP1 (0.54) PDE7AMEN1KMT2AGAAPKM
SCHEMBL7686888 0.77 HSD17B10 (0.55) PDE7AMEN1KMT2AGAAPKM

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-2305649-B1 METHOD FOR PRODUCING 6-ARYLOXYQUINOLINE DERIVATIVE AND INTERMEDIATE THEREOF NIPPON KAYAKU KK (JP) 2013-04-24 EP disclosed
EP-2305649-A1 METHOD FOR PRODUCING 6-ARYLOXYQUINOLINE DERIVATIVE AND INTERMEDIATE THEREOF Nippon Kayaku Co., Ltd. (JP) 2011-04-06 EP disclosed