SCHEMBL8626645

SCHEMBL8626645

O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCNCCCNCCN1C(=O)c2cccc3c(Br)ccc(c23)C1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 2/20 0.66
▸ CYP1B1 Q16678 14/20 0.63
▸ ALDH1A1 P00352 2/20 0.63
▸ POLB P06746 2/20 0.63
▸ KDM4E B2RXH2 1/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ NPC1 O15118 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ PABPC1 P11940 1/20 0.63
▸ KMT2A Q03164 1/20 0.63
▸ OGA O60502 1/20 0.58
▸ HEXA P06865 1/20 0.58
▸ HEXB P07686 1/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.58
▸ DYRK3 O43781 1/20 0.54
▸ RPS6KB1 P23443 1/20 0.54
▸ EPHA2 P29317 1/20 0.54
▸ FLT4 P35916 1/20 0.54
▸ CSNK2A1 P68400 1/20 0.54

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
SCHEMBL10262127 0.96 CYP1B1 (0.67) SIRT1CYP1B1ALDH1A1POLBKDM4E
SCHEMBL12660579 0.91 CYP1B1 (0.67) SIRT1CYP1B1ALDH1A1POLBKDM4E
SCHEMBL12660542 0.84 SIRT1 (0.66) SIRT1CYP1B1ALDH1A1POLBKDM4E
SCHEMBL8395399 0.84 SIRT1 (0.66) SIRT1CYP1B1ALDH1A1POLBMEN1
SCHEMBL8395338 0.84 SIRT1 (0.66) SIRT1ALDH1A1POLBKDM4EMEN1
SCHEMBL26243132 0.81 CYP1B1 (0.70) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL12660424 0.81 MEN1 (0.56) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL3773566 0.81 POLB (0.74) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL7328383 0.81 CYP1B1 (0.65) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL30499259 0.81 POLB (0.74) CYP1B1ALDH1A1POLBKDM4EMEN1

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
EP-0714387-B1 NEW BIS-NAPHTHALIMIDES FOR THE TREATMENT OF CANCER BASF AG (DE) 1998-05-27 — — EP disclosed
EP-0714387-A1 NEW BIS-NAPHTHALIMIDES FOR THE TREATMENT OF CANCER BASF AKTIENGESELLSCHAFT (DE) 1996-06-05 — — EP disclosed
WO-1995005365-A1 NEW BIS-NAPHTHALIMIDES FOR THE TREATMENT OF CANCER BASF AKTIENGESELLSCHAFT (DE) 1995-02-23 — — WO disclosed
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