SCHEMBL7294175

SCHEMBL7294175

C=C(c1ccc2c(c1)c(=O)ccn2CC)c1cc(OC)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43

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
SCHEMBL7285807 0.80 KDM4E (0.56) ALDH1A1KDM4EHPGDTSHRRAB9A
SCHEMBL7283679 0.73 MAPT (0.46) ALDH1A1KDM4EHPGDRAB9ATUBB4A
SCHEMBL7294168 0.73 CYP1A1 (0.53) ALDH1A1KDM4EHPGDTSHRRAB9A
SCHEMBL7294180 0.73 CYP1A1 (0.53) ALDH1A1KDM4EHPGDTSHRRAB9A
SCHEMBL27480265 0.71 KDM4E (0.46) ALDH1A1KDM4EHPGDTSHRRAB9A
SCHEMBL16536004 0.70 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDTSHRRAB9A
SCHEMBL16536963 0.69 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDTSHRRAB9A
SCHEMBL7281288 0.69 KDM4E (0.44) ALDH1A1KDM4EHPGDTSHRRAB9A
SCHEMBL16536117 0.68 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDTSHRRAB9A
SCHEMBL7283899 0.68 PDE3B (0.42) KDM4ETSHRRAB9ATUBB4ATUBB

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-0343574-B1 4(1H)-quinolone derivatives KIRIN BREWERY (JP) 1994-07-27 EP claimed
EP-0343574-B1 4(1H)-quinolone derivatives KIRIN BREWERY (JP) 1994-07-27 EP disclosed
US-5081121-A Cardiotonic agents KIRIN BEER KABUSHIKI KAISHA (JP) 1992-01-14 US disclosed
EP-0343574-A1 4(1H)-quinolone derivatives KIRIN BEER KABUSHIKI KAISHA (JP) 1989-11-29 EP disclosed