SCHEMBL29406487

SCHEMBL29406487

CC(C)(C#N)c1ccc(C2OCCO2)c([N+](=O)[O-])c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 2/20 0.33
ALDH1A1 P00352 5/20 0.32
POLB P06746 1/20 0.32
BRAF P15056 1/20 0.32
KDR P35968 1/20 0.32
VCAM1 P19320 2/20 0.32
MAPK1 P28482 3/20 0.31
NPC1 O15118 1/20 0.31
GLA P06280 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
PKM P14618 1/20 0.31
MAPT P10636 2/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL29406166 0.90 HTT (0.35) GPR35MEN1KMT2AHTTALDH1A1
SCHEMBL29406579 0.83 MEN1 (0.40) GPR35MEN1KMT2AALDH1A1POLB
SCHEMBL29403691 0.74 ALDH1A1 (0.40) KMT2AHTTALDH1A1POLBVCAM1
SCHEMBL27452392 0.74 ALDH1A1 (0.49) GPR35MEN1KMT2AHTTALDH1A1
SCHEMBL9670920 0.74 ALDH1A1 (0.44) GPR35MEN1KMT2AHTTALDH1A1
SCHEMBL9913609 0.74 TSHR (0.51) GPR35MEN1KMT2AALDH1A1POLB
SCHEMBL29953934 0.74 ALDH1A1 (0.49) GPR35MEN1KMT2AHTTALDH1A1
SCHEMBL2815785 0.73 MAPT (0.47) GPR35MEN1KMT2AALDH1A1POLB
SCHEMBL14253769 0.73 MEN1 (0.49) GPR35MEN1KMT2AALDH1A1POLB
SCHEMBL29406597 0.72 GAA (0.38) KMT2AHTTALDH1A1VCAM1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022053567-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA CROP PROTECTION AG (CH) 2022-03-17 WO disclosed