SCHEMBL9523210

SCHEMBL9523210

COc1c(N2CCN(C)CC2)c(F)cc2c(=O)c(C(=O)O)c3n(c12)C(c1ccccc1)S3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.43
ADRA2B P18089 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 5/20 0.43
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 4/20 0.43
TOP1 P11387 4/20 0.40
PIM1 P11309 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
PIM3 Q86V86 1/20 0.40
CSNK1G1 Q9HCP0 1/20 0.40
ALB P02768 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
POLB P06746 3/20 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

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
SCHEMBL9674781 0.90 PIM1 (0.49) KDM4EADRA2BMAPK1HPGDALDH1A1
SCHEMBL9522418 0.87 PIM1 (0.45) KDM4EADRA2BMAPK1HPGDALDH1A1
SCHEMBL9232600 0.84 KDM4E (0.46) KDM4EADRA2BMAPK1HPGDALDH1A1
SCHEMBL9673028 0.84 LMNA (0.57) KDM4EHPGDALDH1A1HSD17B10TOP1
SCHEMBL9672611 0.84 PIM1 (0.48) KDM4EADRA2BMAPK1HPGDALDH1A1
SCHEMBL9568467 0.82 GSK3B (0.36) KDM4EHPGDTOP1PIM1GSK3A
SCHEMBL9672628 0.81 PIM1 (0.47) KDM4EADRA2BMAPK1HPGDALDH1A1
SCHEMBL9675220 0.81 KDM4E (0.44) KDM4EADRA2BMAPK1HPGDALDH1A1
SCHEMBL9674743 0.80 PIM1 (0.48) KDM4EADRA2BMAPK1HPGDALDH1A1
SCHEMBL9525499 0.79 LMNA (0.52) KDM4EHPGDALDH1A1HSD17B10PIM1

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-0249043-B1 QUINOLINECARBOXYLIC ACID DERIVATIVES NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-04 EP disclosed
US-4843070-A BACTERIDCIDES, FUNGICIDES NIPPON SHINYAKU CO., LTD. (JP) 1989-06-27 US disclosed
EP-0249043-A2 Quinolinecarboxylic acid derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1987-12-16 EP disclosed