SCHEMBL8339690

SCHEMBL8339690

COCC(=O)NC(C)c1ccc2ccccc2c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
MMP9 P14780 1/20 0.59
TSHR P16473 1/20 0.54
RECQL P46063 1/20 0.53
ACACB O00763 1/20 0.51
ACACA Q13085 1/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
F7 P08709 2/20 0.50
F2 P00734 1/20 0.50
F10 P00742 1/20 0.50
ALOX5 P09917 1/20 0.50
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PDE2A O00408 1/20 0.48
METAP2 P50579 1/20 0.46
METAP1 P53582 1/20 0.46

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
SCHEMBL8339684 1.00 HCRTR1 (0.62) HCRTR1TDP1MMP9TSHRRECQL
SCHEMBL1143366 0.84 MMP9 (0.64) HCRTR1TDP1MMP9TSHRMEN1
SCHEMBL3523094 0.84 MMP9 (0.64) HCRTR1TDP1MMP9TSHRMEN1
SCHEMBL18068729 0.84 MMP9 (0.64) HCRTR1TDP1MMP9TSHRACACB
SCHEMBL7931673 0.84 MMP9 (0.64) HCRTR1TDP1MMP9TSHRMEN1
SCHEMBL4037714 0.82 ALDH1A1 (0.64) HCRTR1TDP1MMP9MEN1KMT2A
SCHEMBL4857933 0.82 ALDH1A1 (0.64) HCRTR1TDP1MMP9MEN1KMT2A
SCHEMBL1321496 0.82 MMP9 (0.66) HCRTR1TDP1MMP9TSHRACACB
SCHEMBL5016632 0.82 TSHR (0.73) TSHRMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL16714724 0.82 TSHR (0.73) TSHRMEN1KMT2AHPGDSMN1; SMN2

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
US-5922899-A Carbamoyl carboxylic acid amides BASF AKTIENGESELLSCHAFT (DE) 1999-07-13 US disclosed