SCHEMBL4056323

SCHEMBL4056323

N#Cc1c(NC(=O)CCC2CCCCC2)sc2c1CCN(C(=O)O)C2

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.53
▸ KMT2A Q03164 6/20 0.53
▸ ALDH1A1 P00352 7/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ MAPT P10636 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ RAB9A P51151 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ LMNA P02545 1/20 0.50
▸ ESR2 Q92731 3/20 0.48
▸ POLB P06746 3/20 0.48
▸ USP2 O75604 2/20 0.48
▸ ALOX15 P16050 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ATM Q13315 1/20 0.47

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
SCHEMBL3419611 0.90 MEN1 (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3421661 0.90 MAPK9 (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3419893 0.88 L3MBTL1 (0.64) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2895790 0.88 SMN1; SMN2 (0.51) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3418594 0.84 MEN1 (0.53) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3420744 0.83 MEN1 (0.49) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL2895632 0.82 MEN1 (0.48) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3423396 0.82 MEN1 (0.44) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL4508669 0.82 MAPK10 (0.48) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3415429 0.82 MEN1 (0.51) MEN1KMT2AALDH1A1KDM4EL3MBTL1

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
EP-2051983-A1 NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER 4SC AG (DE) 2009-04-29 — — EP claimed
WO-2008020024-A1 NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER 4SC AG (DE) 2008-02-21 — — WO claimed
EP-2051983-A1 NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER 4SC AG (DE) 2009-04-29 — — EP disclosed
WO-2008020024-A1 NTETRAHYDROPYRIDOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF CANCER 4SC AG (DE) 2008-02-21 — — WO disclosed
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