SCHEMBL19789877

SCHEMBL19789877

CCCCC(CN=O)CSc1ccc(F)cc1Cc1cccc([N+](=O)[O-])c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
HTT P42858 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CNR1 P21554 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
TSHR P16473 1/20 0.35
MAOA P21397 2/20 0.34
CYP19A1 P11511 1/20 0.34
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
POLB P06746 3/20 0.32
ABCB1 P08183 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
SCHEMBL19789753 0.89 MAOA (0.38) LMNAHTTSMN1; SMN2CNR1NPSR1
SCHEMBL13620313 0.89 MAOA (0.38) LMNAHTTSMN1; SMN2CNR1NPSR1
SCHEMBL19789655 0.82 MEN1 (0.36) LMNASMN1; SMN2NPSR1TSHRHPGD
SCHEMBL19789770 0.79 CYP19A1 (0.38) LMNAHTTSMN1; SMN2CNR1NPSR1
SCHEMBL19789754 0.76 TSHR (0.41) LMNAHTTSMN1; SMN2TSHRMAOA
SCHEMBL12196402 0.75 MAOA (0.36) LMNAHTTSMN1; SMN2CNR1NPSR1
SCHEMBL12196408 0.75 MAOA (0.36) LMNAHTTSMN1; SMN2CNR1NPSR1
SCHEMBL12196400 0.75 MAOA (0.36) LMNAHTTSMN1; SMN2CNR1NPSR1
SCHEMBL19789693 0.73 MAOA (0.36) LMNAHTTSMN1; SMN2CNR1NPSR1
SCHEMBL13620463 0.73 MEN1 (0.39) LMNASMN1; SMN2TSHRHPGDCYP1A2

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
EP-2282991-B1 METHOD FOR THE PRODUCTION OF 1,4-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES SANOFI AVENTIS DEUTSCHLAND (DE) 2018-01-24 EP disclosed