SCHEMBL7868619

SCHEMBL7868619

CCCCS(=O)(=O)Oc1ccc(OCCNCCCn2ccnc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.55
MAPK1 P28482 1/20 0.55
GAA P10253 2/20 0.54
KDM4E B2RXH2 2/20 0.52
QPCT Q16769 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 1/20 0.48
TBXAS1 P24557 2/20 0.47
POLB P06746 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
SCHEMBL7879545 0.82 SMN1; SMN2 (0.58) SMN1; SMN2LMNAHTTMAPK1GAA
SCHEMBL7873915 0.81 SMN1; SMN2 (0.47) SMN1; SMN2LMNAHTTMAPK1GAA
SCHEMBL7875213 0.80 KDM4E (0.61) SMN1; SMN2LMNAHTTMAPK1GAA
SCHEMBL7868645 0.78 CACNA1B (0.61) LMNAKDM4EQPCTMEN1KMT2A
SCHEMBL7868580 0.78 PKM (0.64) LMNAKDM4EQPCTMEN1KMT2A
SCHEMBL7876962 0.78 TBXAS1 (0.69) LMNAKDM4EQPCTMEN1KMT2A
Hydrochloric Acid SCHEMBL7876983 0.77 CACNA1B (0.60) LMNAKDM4EQPCTMEN1KMT2A
Hydrochloric Acid SCHEMBL7879599 0.77 MEN1 (0.59) SMN1; SMN2LMNAGAAKDM4EQPCT
Hydrochloric Acid SCHEMBL7873875 0.77 PKM (0.63) LMNAKDM4EQPCTMEN1KMT2A
SCHEMBL7875030 0.77 PKM (0.65) LMNAKDM4EQPCTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
US-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed