SCHEMBL6992471

SCHEMBL6992471

CNCCCNCCc1ccc(OC)c(OC)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.76
ATM Q13315 2/20 0.76
SLC2A1 P11166 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.60
SMPD1 P17405 1/20 0.58
KDM4E B2RXH2 3/20 0.57
ALDH1A1 P00352 1/20 0.57
GLA P06280 1/20 0.57
MAPT P10636 1/20 0.55
KCNH2 Q12809 1/20 0.54
KMT2A Q03164 1/20 0.54
CA2 P00918 2/20 0.53
ABCB1 P08183 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP3A5 P20815 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA5A P35218 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52

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
SCHEMBL30798962 0.89 SLC2A1 (0.76) POLBATMSLC2A1SMN1; SMN2SMPD1
SCHEMBL11811971 0.89 SLC2A1 (0.68) POLBATMSLC2A1SMN1; SMN2SMPD1
SCHEMBL7435099 0.88 ATM (0.76) POLBATMSLC2A1SMN1; SMN2SMPD1
SCHEMBL2845264 0.87 ATM (0.80) POLBATMSMN1; SMN2KDM4EMAPT
Hydrochloric Acid SCHEMBL11808765 0.87 ATM (0.73) POLBATMSLC2A1SMN1; SMN2KDM4E
SCHEMBL30230461 0.87 ATM (1.00) POLBATMSMN1; SMN2KDM4EALDH1A1
SCHEMBL8635081 0.87 ATM (1.00) POLBATMSMN1; SMN2KDM4EALDH1A1
SCHEMBL557799 0.87 ATM (1.00) POLBATMSMN1; SMN2KDM4EALDH1A1
SCHEMBL28670719 0.86 SLC2A1 (0.64) POLBATMSLC2A1SMN1; SMN2SMPD1
Hydrochloric Acid SCHEMBL3657276 0.85 ATM (0.96) POLBATMSMN1; SMN2KDM4EALDH1A1

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-1003749-B1 8-SUBSTITUTED-9H-1,3-DIOXOLO/4,5-h/2,3/BENZODIAZEPINE DERIVATES, AS AMPA/KAINATERECEPTOR INHIBITORS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 2003-10-22 EP disclosed
US-6562810-B1 Competitive AMPA/kainite antagonist properties making them useful in the treatment of diseases where inhibition of the AMPA/kainite receptors may a favorable effect EGIS GYOGYSZERGYAR RT. (HU) 2003-05-13 US disclosed
US-5430059-A Treating heart disease EISAI CO., LTD. (JP) 1995-07-04 US disclosed