SCHEMBL9521155

SCHEMBL9521155

O=C1OCCC1=Cc1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPT P10636 4/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
HSD17B10 Q99714 1/20 0.45
AMY1A P0DUB6 1/20 0.44
DYRK1A Q13627 3/20 0.42
DYRK2 Q92630 3/20 0.42
DYRK1B Q9Y463 3/20 0.42
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
VCAM1 P19320 1/20 0.39

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
SCHEMBL9520961 0.79 ALDH1A1 (0.47) ALDH1A1MAPTKMT2ADYRK1ADYRK2
SCHEMBL7711784 0.75 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AMEN1HSD17B10
SCHEMBL1309879 0.72 HSP90AA1 (0.61) ALDH1A1MAPTKMT2AMEN1HTT
SCHEMBL9523023 0.71 ALDH1A1 (0.40) ALDH1A1MAPTKMT2ADYRK1ADYRK2
SCHEMBL307134 0.69 ERN1 (0.65) ALDH1A1MAPTKMT2AMEN1HSD17B10
SCHEMBL11828282 0.68 ALDH1A1 (0.56) ALDH1A1MAPTKMT2AMEN1DYRK1A
SCHEMBL5035485 0.68 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL12236614 0.68 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL13689920 0.68 HSD17B10 (0.62) ALDH1A1MAPTKMT2AMEN1HSD17B10
SCHEMBL16951936 0.68 HSD17B10 (0.62) ALDH1A1MAPTKMT2AMEN1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0345637-B1 N-SUBSTITUTED 3,4,5,6-TETRAHYDROPHTHALIMIDE DERIVATIVES BASF Aktiengesellschaft (DE) 1993-03-17 EP disclosed
US-4959098-A HERBICIDES, PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1990-09-25 US disclosed
EP-0345637-A1 N-substituted 3,4,5,6-tetrahydrophthalimide derivatives BASF Aktiengesellschaft (DE) 1989-12-13 EP disclosed