SCHEMBL9870932

SCHEMBL9870932

CC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4)c3c2F)CCN1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.69
ALDH1A1 P00352 6/20 0.69
HPGD P15428 5/20 0.69
HSD17B10 Q99714 5/20 0.69
PMP22 Q01453 1/20 0.68
POLB P06746 2/20 0.59
KCNH2 Q12809 2/20 0.59
PRKD3 O94806 1/20 0.59
ALOX15 P16050 1/20 0.59
OPRM1 P35372 1/20 0.59
CLK2 P49760 1/20 0.59
CLK4 Q9HAZ1 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
LMNA P02545 2/20 0.54
HSP90AA1 P07900 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PIM1 P11309 1/20 0.46
TOP2A P11388 5/20 0.45

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
SCHEMBL9870331 0.94 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9871175 0.90 KDM4E (0.55) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL10914020 0.89 KDM4E (0.57) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9869967 0.89 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10PMP22
Hydrochloric Acid SCHEMBL9774086 0.89 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10PMP22
Hydrochloric Acid SCHEMBL9774075 0.89 KDM4E (0.70) KDM4EALDH1A1HPGDHSD17B10PMP22
Hydrochloric Acid SCHEMBL10596988 0.89 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9047553 0.88 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9870203 0.88 KDM4E (0.66) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8137944 0.87 KDM4E (0.64) 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