SCHEMBL9705566

SCHEMBL9705566

CCN1CCN(c2c(Cl)cc3c(=O)c(C(=O)O)cn4c3c2C=CC4C)CC1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.41
ALDH1A1 P00352 7/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 4/20 0.41
PMP22 Q01453 1/20 0.40
POLB P06746 4/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
ALB P02768 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
AADAT Q8N5Z0 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 1/20 0.39
TUBB4B P68371 1/20 0.39
TUBB3 Q13509 1/20 0.39

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
SCHEMBL9703766 0.91 HPGD (0.37) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9703105 0.85 KDM4E (0.51) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9703873 0.84 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9703732 0.83 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9703371 0.82 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10PMP22
Hydrochloric Acid SCHEMBL9703676 0.81 KDM4E (0.42) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9704640 0.79 KMT2A (0.45) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL9703783 0.78 KDM4E (0.52) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9705532 0.78 KDM4E (0.38) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9703966 0.78 HPGD (0.44) KDM4EALDH1A1HPGDHSD17B10PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0203795-B1 Benzo [i,j] quinolizine-2-carboxylic acid derivatives, the salts and their hydrates, pharmaceutical compositions thereof, and process for preparing the same TOKYO TANABE COMPANY LIMITED (JP) 1992-07-29 EP disclosed
EP-0203795-A2 Benzo [i,j] quinolizine-2-carboxylic acid derivatives, the salts and their hydrates, pharmaceutical compositions thereof, and process for preparing the same TOKYO TANABE COMPANY LIMITED (JP) 1986-12-03 EP disclosed