SCHEMBL7707608

SCHEMBL7707608

Cn1nc(-c2ccc(C#N)c([N+](=O)[O-])c2)c(Cl)c1OC(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 4/20 0.43
MAPT P10636 6/20 0.36
ALDH1A1 P00352 4/20 0.36
POLB P06746 3/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
PIN1 Q13526 1/20 0.32
GRM6 O15303 1/20 0.32
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
APEX1 P27695 1/20 0.32
BLM P54132 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL7711809 0.86 L3MBTL1 (0.41) VCAM1MAPTALDH1A1POLBLMNA
SCHEMBL8892234 0.85 MAPT (0.38) MAPTALDH1A1POLBLMNAMEN1
SCHEMBL7707619 0.85 CFTR (0.39) VCAM1MAPTALDH1A1POLBLMNA
SCHEMBL8303323 0.83 VCAM1 (0.35) VCAM1MAPTPOLBPIN1GRM6
SCHEMBL7707591 0.81 AR (0.39) ALDH1A1HPGDKDM1A
SCHEMBL8471514 0.79 L3MBTL1 (0.41) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL7510124 0.76 L3MBTL1 (0.40) VCAM1MAPTALDH1A1POLBLMNA
SCHEMBL7749240 0.73 ESPL1 (0.30)
SCHEMBL7707669 0.73 KCNH2 (0.34) ALDH1A1LMNAKMT2ACYP2C9
SCHEMBL7881661 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365552-B1 AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed
EP-0759907-B1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AG (DE) 2001-10-10 EP disclosed
EP-1116717-A1 Substituted 3-phenylpyrazoles as herbicides BASF AKTIENGESELLSCHAFT (DE) 2001-07-18 EP disclosed
US-5928999-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-07-27 US disclosed
US-5744426-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-04-28 US disclosed
CN-1152305-A Substituted 3-phenylpyrazoles as herbicides BASF AG (DE) 1997-06-18 CN disclosed
EP-0763025-A1 SUBSTITUTED 3-PHENYLPYRAZOLES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-19 EP disclosed
EP-0759907-A1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-05 EP disclosed
WO-1995033728-A1 SUBSTITUTED 3-PHENYLPYRAZOLES AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1995-12-14 WO disclosed
WO-1995032188-A1 SUBSTITUTED 3-PHENYLPYRAZOLES FOR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1995-11-30 WO disclosed