SCHEMBL8979672

SCHEMBL8979672

CCCC[Sn](CCCC)(CCCC)c1cccc(C(=O)N(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
ALDH1A1 P00352 1/20 0.42
BRD4 O60885 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ERN1 O75460 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KIF11 P52732 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAP4K1 Q92918 1/20 0.38
BRD9 Q9H8M2 1/20 0.37
LOX P28300 1/20 0.36
CECR2 Q9BXF3 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
PMM2 O15305 1/20 0.35
MPI P34949 1/20 0.35
PHOSPHO1 Q8TCT1 1/20 0.35

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
SCHEMBL30185957 0.83 KMT2A (0.46) SMN1; SMN2KMT2A
SCHEMBL2392823 0.83 HPGD (0.47) HPGDALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL1884032 0.83 KMT2A (0.46) SMN1; SMN2KMT2A
SCHEMBL8979725 0.82 PARP1 (0.46) SMN1; SMN2MEN1KMT2A
SCHEMBL9596990 0.81 HPGD (0.44) HPGDALDH1A1SMN1; SMN2ERN1KIF11
SCHEMBL317948 0.78 RAB9A (0.52) HPGDALDH1A1SMN1; SMN2KMT2A
SCHEMBL9387193 0.74 CYP4F2 (0.49) HPGDALDH1A1SMN1; SMN2TDP1MEN1
SCHEMBL5362522 0.73 ALDH1A1 (0.40) HPGDALDH1A1KMT2ACYP3A4
SCHEMBL7406706 0.73 MEN1 (0.55) HPGDALDH1A1SMN1; SMN2TDP1ERN1
SCHEMBL5953069 0.73 DRD3 (0.40) ALDH1A1SMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5502065-A TREATING HEADACHES PFIZER INC. (US) 1996-03-26 US disclosed
EP-0636129-A1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS Pfizer Limited (GB) 1995-02-01 EP disclosed
WO-1993021178-A1 INDOLE DERIVATIVES AS 5-HT1-LIKE AGONISTS PFIZER LIMITED (GB) 1993-10-28 WO disclosed