SCHEMBL9544934

SCHEMBL9544934

C=CCN1CN(CCCC)c2ccccc21.COS(=O)(=O)O

nearest known ligand 0.36

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 2/20 0.36
DRD2 P14416 2/20 0.34
DRD3 P35462 2/20 0.34
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
ALDH1A1 P00352 7/20 0.33
HTT P42858 3/20 0.33
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CDC25A P30304 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
SCHEMBL9185029 0.87 GRIA1 (0.39) MEN1KMT2ADRD2DRD3GRIA1
SCHEMBL28838330 0.76 TSHR (0.42) MEN1KMT2APOLBTSHRDRD2
SCHEMBL28693056 0.75 TSHR (0.41) MEN1KMT2APOLBTSHRDRD2
SCHEMBL18966405 0.75 DRD3 (0.44) MEN1KMT2ATSHRDRD2DRD3
Sulfuric Acid SCHEMBL28682212 0.74 TSHR (0.40) MEN1KMT2APOLBTSHRDRD2
SCHEMBL9316153 0.73 GAA (0.39) MEN1KMT2ATSHRGRIA1GRIA2
Bromide SCHEMBL28461115 0.73 ALDH1A1 (0.43) MEN1KMT2ATSHRDRD2DRD3
SCHEMBL2571298 0.73 ADRA1D (0.42) KMT2ATSHRGRIA1GRIA2GRIA3
SCHEMBL28455582 0.72 GAA (0.41) MEN1KMT2APOLBTSHRALDH1A1
SCHEMBL27983705 0.72 BRD4 (0.44) ALDH1A1HSD17B10

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-1993020263-A1 METHOD OF METALLIZING NON-CONDUCTING SURFACES, IN PARTICULAR CIRCUIT BOARDS ATOTECH DEUTSCHLAND GMBH (DE) 1993-10-14 WO disclosed