SCHEMBL9870331

SCHEMBL9870331

CC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccccc4)c3c2F)CCN1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.70
ALDH1A1 P00352 6/20 0.70
HPGD P15428 5/20 0.70
HSD17B10 Q99714 5/20 0.70
PMP22 Q01453 1/20 0.69
POLB P06746 2/20 0.60
PRKD3 O94806 1/20 0.60
ALOX15 P16050 1/20 0.60
OPRM1 P35372 1/20 0.60
CLK2 P49760 1/20 0.60
KCNH2 Q12809 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
TOP2A P11388 10/20 0.49
TOP2B Q02880 10/20 0.49
HSP90AA1 P07900 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
LMNA P02545 1/20 0.46

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
SCHEMBL9870932 0.94 KDM4E (0.69) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9869932 0.92 ALDH1A1 (0.62) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10913865 0.90 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10374458 0.89 HPGD (0.59) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9047553 0.87 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9088225 0.87 HPGD (0.64) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9869967 0.86 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10653699 0.85 KDM4E (0.77) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10372519 0.85 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10914020 0.84 KDM4E (0.57) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0201829-A1 1-Aryl-4-quinolone-3-carboxylic acids BAYER AG (DE) 1986-11-20 EP claimed
US-4981854-A BACTERICIDES, ANIMAL GROWTH REGUALTORS BAYER AKTIENGESELLSCHAFT (DE) 1991-01-01 US disclosed
US-4980353-A BACTERICIDES, ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1990-12-25 US disclosed
EP-0201829-A1 1-Aryl-4-quinolone-3-carboxylic acids BAYER AG (DE) 1986-11-20 EP disclosed