SCHEMBL6177213

SCHEMBL6177213

O=C(O)c1cc2cc(N(CCCl)CCCl)ccc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 1/20 0.47
▸ GPR35 Q9HC97 2/20 0.44
▸ RAD52 P43351 1/20 0.42
▸ TBXAS1 P24557 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ HIF1A Q16665 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NFKB1 P19838 2/20 0.40
▸ THPO P40225 2/20 0.40
▸ PMP22 Q01453 2/20 0.40
▸ GMNN O75496 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ GABRA2 P47869 1/20 0.40
▸ GABRB2 P47870 1/20 0.40
▸ SLCO1B3 Q9NPD5 1/20 0.40
▸ CYP3A4 P08684 3/20 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
SCHEMBL6976296 0.82 HDAC1 (0.55) RAD52EGFRERBB2HDAC1
SCHEMBL6976301 0.79 BCL2L1 (0.45) BCL2L1GPR35TBXAS1LMNAEGFR
SCHEMBL28327391 0.77 BCL2L1 (0.54) BCL2L1GPR35TBXAS1ALDH1A1LMNA
SCHEMBL6977328 0.75 HDAC6 (0.44) RAD52ALDH1A1SMN1; SMN2HIF1ALMNA
SCHEMBL29742282 0.72 BCL2L1 (0.59) BCL2L1GPR35TBXAS1MEN1KMT2A
SCHEMBL740202 0.72 BCL2L1 (0.59) BCL2L1GPR35TBXAS1CLK1DYRK1A
SCHEMBL2897390 0.72 BCL2L1 (0.59) BCL2L1GPR35TBXAS1MEN1KMT2A
SCHEMBL29742302 0.72 BCL2L1 (0.59) BCL2L1GPR35TBXAS1CLK1DYRK1A
SCHEMBL4082326 0.70 BCL2L1 (0.61) BCL2L1GPR35TBXAS1SMN1; SMN2LMNA
SCHEMBL2194399 0.70 DYRK1A (0.71) BCL2L1GPR35TBXAS1ALDH1A1TSHR

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-1064281-B1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-05-25 — — EP disclosed
EP-0937070-B1 BENZOHETEROCYCLIC DISTAMYCIN DERIVATIVES, PROCESS FOR PREPARING THEM, AND THEIR USE AS ANTITUMOR AND ANTIVIRAL AGENTS PHARMACIA ITALIA SPA (IT) 2003-12-03 — — EP disclosed
US-6458768-B1 ANTITUMOR AGENTS THAT CAN BE FORMULATED WITH A COMPOUND ALTERNATIVELY, CAN BE ADMINISTERED IN A MIXTURE OF DRUGS PHARMACIA & UPJOHN, S.P.A. (IT) 2002-10-01 — — US disclosed
US-6153642-A Benzoheterocyclic distamycin derivatives, process for preparing them, and their use as antitumor and antiviral agents PHARMACIA & UPJOHN S.P.A. (IT) 2000-11-28 — — US disclosed
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