SCHEMBL27489082

SCHEMBL27489082

CC(=O)OCCc1cc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
ATM Q13315 1/20 0.46
MEN1 O00255 2/20 0.46
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
PLA2G1B P04054 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
S1PR4 O95977 1/20 0.40
LMNA P02545 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
SCHEMBL27661302 0.83 ALDH1A1 (0.40) KMT2AATMMEN1MAPK1L3MBTL1
SCHEMBL27841559 0.83 MAPT (0.47) KMT2AATMMEN1TSHRMAPK1
SCHEMBL28037760 0.82 GRIA2 (0.41) MAPK1NPC1MAPTALDH1A1POLB
SCHEMBL7421292 0.81 MAOB (0.52) KMT2AMEN1TSHRL3MBTL1NPC1
SCHEMBL9815415 0.80 HTT (0.51) KMT2AMEN1MAPK1MAPTALDH1A1
SCHEMBL30435606 0.80 HPD (0.45) KMT2AMEN1MAPK1MAPTALDH1A1
SCHEMBL27654744 0.80 S1PR4 (0.61) KMT2AMEN1MAPK1NPC1RAB9A
SCHEMBL3006053 0.78 TSHR (0.51) KMT2AATMMEN1TSHRMAPK1
SCHEMBL27585879 0.78 MEN1 (0.50) KMT2AMEN1TSHRMAPK1L3MBTL1
SCHEMBL310625 0.77 TSHR (0.55) KMT2AATMMEN1TSHRMAPK1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1982308-B Substituted pyrazoles ORTHO MCNEIL PHARM INC 2010-06-16 CN disclosed
CN-1982308-A Substituted pyrazoles ORTHO MCNEIL PHARM INC (US) 2007-06-20 CN disclosed
CN-1294130-C Substituted pyrazoles ORTHO MCNEIL PHARM INC (US) 2007-01-10 CN disclosed
CN-1212839-C Use of substituted pyrazoles for the preparation of a medicament for the treatment of allergies ORTHO MCNEIL PHARM INC (US) 2005-08-03 CN disclosed
CN-1473043-A A method for treating allergy by using substituted pyrazole ����-������ҩƷ��˾ 2004-02-04 CN disclosed
CN-1468237-A Substituted pyrazoles 奥索-麦克尼尔药品公司 2004-01-14 CN disclosed