SCHEMBL9380872

SCHEMBL9380872

CCNc1nc2ccc(/C=C/c3nc[nH]c3C)cc2o1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.36
IP6K1 Q92551 4/20 0.32
IP6K3 Q96PC2 2/20 0.32
IP6K2 Q9UHH9 1/20 0.32
HDAC1 Q13547 1/20 0.31
ATP4A P20648 2/20 0.31
ATP4B P51164 2/20 0.31
QPCT Q16769 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
AGTR1 P30556 1/20 0.30
OPRK1 P41145 1/20 0.30
MDM2 Q00987 1/20 0.30
HIF1A Q16665 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL9380881 1.00 ELANE (0.36) ELANEIP6K1IP6K3IP6K2HDAC1
SCHEMBL9380355 0.75 ELANE (0.37) ELANEIP6K1MAPT
SCHEMBL9380111 0.74 HRH2 (0.37) ELANEQPCTMAPTTDP1
SCHEMBL29045541 0.74 ELANE (0.44) ELANEALDH1A1MAPT
SCHEMBL9380547 0.74 ELANE (0.40) ELANEALDH1A1LMNAMAPTTDP1
SCHEMBL9380550 0.74 ELANE (0.40) ELANEALDH1A1LMNAMAPTTDP1
SCHEMBL9376854 0.73 ELANE (0.35) ELANEMAPT
SCHEMBL9376863 0.73 ELANE (0.35) ELANEMAPT
SCHEMBL9380631 0.72 ELANE (0.36) ELANEHDAC1ALDH1A1MAPTOPRK1
SCHEMBL9380627 0.72 ELANE (0.36) ELANEHDAC1ALDH1A1MAPTOPRK1

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-0356234-B1 New Benzazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-05-11 EP disclosed
US-5047411-A Antiulcer Agents, H2-Receptor Antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0356234-A2 New Benzazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed