SCHEMBL7304955

SCHEMBL7304955

COc1ccc([S+]([O-])CC(=O)[C@@H]2CCCN2C(=O)[C@H]2CCCN2C(=O)CCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
F2 P00734 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
FKBP1A P62942 1/20 0.41
DPP4 P27487 1/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PREP P48147 1/20 0.40
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP12 P39900 1/20 0.39

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
SCHEMBL7304950 1.00 KMT2A (0.45) KMT2AMEN1F2ALDH1A1TSHR
SCHEMBL7304946 1.00 KMT2A (0.45) KMT2AMEN1F2ALDH1A1TSHR
SCHEMBL7306914 0.91 F2 (0.48) KMT2AMEN1F2PREPHPGD
SCHEMBL7306911 0.91 F2 (0.48) KMT2AMEN1F2PREPHPGD
SCHEMBL7306906 0.91 F2 (0.48) KMT2AMEN1F2PREPHPGD
SCHEMBL7299544 0.90 PRCP (0.45) F2ALDH1A1FKBP1ACYP2C9CYP2C19
SCHEMBL7299534 0.90 PRCP (0.45) F2ALDH1A1FKBP1ACYP2C9CYP2C19
SCHEMBL7299537 0.90 PRCP (0.45) F2ALDH1A1FKBP1ACYP2C9CYP2C19
SCHEMBL7297033 0.86 PREP (0.57) KMT2AMEN1ALDH1A1TSHRLMNA
SCHEMBL7295975 0.86 PREP (0.57) KMT2AMEN1ALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5506256-A PREVENTION AND/OR TREATMENT OF DEMENTIA, AMNESIA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-09 US claimed
EP-0468469-A2 Proline derivatives Japan Tobacco Inc. (JP) 1992-01-29 EP claimed
US-5506256-A PREVENTION AND/OR TREATMENT OF DEMENTIA, AMNESIA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-09 US disclosed
EP-0468469-A2 Proline derivatives Japan Tobacco Inc. (JP) 1992-01-29 EP disclosed