SCHEMBL9384841

SCHEMBL9384841

COC(=O)C(C#N)=C/C=C/c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.57
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
APP P05067 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
VCAM1 P19320 1/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MITF O75030 3/20 0.41
HTT P42858 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
THRB P10828 2/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 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
SCHEMBL9551037 1.00 MAPT (0.57) MAPTKMT2AMEN1APPCYP1A2
SCHEMBL9329145 0.84 CYP1A2 (0.47) MAPTKMT2AMEN1CYP1A2CYP2D6
SCHEMBL16160405 0.77 ALDH1A1 (0.57) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL9330267 0.77 CYP1A2 (0.50) MAPTKMT2AMEN1CYP1A2CYP2D6
SCHEMBL6983075 0.75 CYP1A2 (0.56) MAPTKMT2AMEN1CYP1A2CYP2D6
SCHEMBL6983081 0.75 CYP1A2 (0.56) MAPTKMT2AMEN1CYP1A2CYP2D6
SCHEMBL9655833 0.75 CYP1A2 (0.50) MAPTKMT2AMEN1CYP1A2CYP2D6
SCHEMBL9655836 0.75 CYP1A2 (0.50) MAPTKMT2AMEN1CYP1A2CYP2D6
SCHEMBL9551005 0.74 ALDH1A1 (0.67) MAPTKMT2AALDH1A1LMNAKDM4E
SCHEMBL9551001 0.74 ALDH1A1 (0.67) MAPTKMT2AALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0240659-B2 N-substituted 3,4,5,6-tetrahydrophthalimides and their precursors BASF AG (DE) 1994-10-26 EP disclosed
US-5237089-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1993-08-17 US disclosed
US-5062884-A Herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-11-05 US disclosed
EP-0240659-A2 N-substituted 3,4,5,6-tetrahydrophthalimides and their precursors BASF Aktiengesellschaft (DE) 1987-10-14 EP disclosed