SCHEMBL9384129

SCHEMBL9384129

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.56
HSD17B10 Q99714 1/20 0.50
KMT2A Q03164 4/20 0.49
VCAM1 P19320 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 2/20 0.45
RORC P51449 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
PPARG P37231 1/20 0.45

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
SCHEMBL9551016 1.00 MAPT (0.56) MAPTHSD17B10KMT2AVCAM1CYP1A2
SCHEMBL9330256 0.89 MAPT (0.51) MAPTHSD17B10KMT2AVCAM1CYP1A2
SCHEMBL10853526 0.85 MAPT (0.53) MAPTHSD17B10KMT2AVCAM1CYP1A2
SCHEMBL9385208 0.85 MAPT (0.53) MAPTHSD17B10KMT2AVCAM1CYP1A2
SCHEMBL9358684 0.85 ERN1 (0.59) MAPTKMT2AHTTALDH1A1MEN1
SCHEMBL9358680 0.85 ERN1 (0.59) MAPTKMT2AHTTALDH1A1MEN1
SCHEMBL16971054 0.85 ALDH1A1 (0.50) MAPTKMT2AHTTALDH1A1MEN1
SCHEMBL9307151 0.84 MAPT (0.52) MAPTHSD17B10KMT2ACYP1A2CYP2D6
SCHEMBL9307154 0.84 MAPT (0.52) MAPTHSD17B10KMT2ACYP1A2CYP2D6
SCHEMBL9399639 0.83 GLO1 (0.57) MAPTHSD17B10KMT2AVCAM1CYP1A2

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