SCHEMBL9380217

SCHEMBL9380217

COc1ccn2c(C)c(CCc3ccc4nc(O)oc4c3)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.37
XDH P47989 1/20 0.37
NLRP3 Q96P20 1/20 0.37
CREBBP Q92793 8/20 0.36
BRD4 O60885 6/20 0.36
EP300 Q09472 1/20 0.35
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9379863 0.88 CREBBP (0.36) TLR4XDHNLRP3CREBBPBRD4
SCHEMBL9376517 0.87 MAPT (0.38) XDHRAB9AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL9377697 0.87 CREBBP (0.36) TLR4XDHNLRP3CREBBPBRD4
SCHEMBL9379181 0.86 CREBBP (0.37) TLR4XDHNLRP3CREBBPBRD4
Hydrochloric Acid SCHEMBL9376400 0.85 CREBBP (0.37) TLR4XDHNLRP3CREBBPBRD4
SCHEMBL9376836 0.85 MAPT (0.36) CREBBPBRD4RAB9AKDM4EMAPT
SCHEMBL9375344 0.84 CREBBP (0.37) TLR4XDHNLRP3CREBBPBRD4
Hydrochloric Acid SCHEMBL9376044 0.84 CREBBP (0.36) TLR4XDHNLRP3CREBBPBRD4
SCHEMBL9376660 0.84 CREBBP (0.45) TLR4XDHNLRP3CREBBPBRD4
Hydrochloric Acid SCHEMBL9380304 0.83 CREBBP (0.44) TLR4XDHNLRP3CREBBPBRD4

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