SCHEMBL8970747

SCHEMBL8970747

CN(CCCCBr)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
MEN1 O00255 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
POLB P06746 1/20 0.52
KDM4E B2RXH2 1/20 0.51
MAPT P10636 1/20 0.51
LMNA P02545 2/20 0.47
VCAM1 P19320 2/20 0.43
HPGD P15428 1/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL20245163 0.83 KMT2A (0.54) KMT2AMEN1SMN1; SMN2POLBKDM4E
SCHEMBL9776469 0.81 SMN1; SMN2 (0.50) KMT2AMEN1SMN1; SMN2POLBKDM4E
SCHEMBL10312389 0.79 KMT2A (0.51) KMT2AMEN1SMN1; SMN2POLBKDM4E
SCHEMBL10312345 0.76 SMN1; SMN2 (0.51) KMT2AMEN1SMN1; SMN2POLBKDM4E
SCHEMBL8969367 0.76 PDE4D (0.54) KMT2AMEN1SMN1; SMN2POLBKDM4E
SCHEMBL10263936 0.75 KMT2A (0.57) KMT2AMEN1SMN1; SMN2POLBKDM4E
SCHEMBL10624008 0.75 SMN1; SMN2 (0.52) KMT2AMEN1SMN1; SMN2POLBKDM4E
SCHEMBL4589513 0.74 SMN1; SMN2 (0.50) KMT2AMEN1SMN1; SMN2POLBKDM4E
SCHEMBL10614317 0.74 CA12 (0.58) SMN1; SMN2KDM4ELMNAVCAM1HPGD
SCHEMBL18986533 0.74 LMNA (0.55) KMT2AMEN1SMN1; SMN2POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5585392-A TREATING OR PREVENTING STROKES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-17 US disclosed
US-5506246-A Method for treating depression using substituted aminomethyltetralins and their heterocyclic analogues BAYER AKTIENGESELLSCHAFT (DE) 1996-04-09 US disclosed
EP-0352613-B1 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1994-04-20 EP disclosed
US-5300523-A Binding serotonin receptors, treating nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
EP-0332968-B1 1,3,4,5-Tetrahydrobenz[c,d]indoles BAYER AG (DE) 1993-06-02 EP disclosed
US-5137901-A For binding 5-HT 1 receptors; treating central nervous system disorders BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
EP-0352613-A2 Substituted amino methyl tetralines, and their heterocyclic analogous compounds BAYER AG (DE) 1990-01-31 EP disclosed
CN-1036566-A 1,3,4,5-tetrahydro benzo [c, d] diindyl compounds BAYER AG (DE) 1989-10-25 CN disclosed
EP-0332968-A1 1,3,4,5-Tetrahydrobenz[c,d]indoles BAYER AG (DE) 1989-09-20 EP disclosed