SCHEMBL9869629

SCHEMBL9869629

O=C(O)c1cn(-c2ccc(F)cc2)c2c(F)c(N3CCCC3)c(F)cc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.66
ALDH1A1 P00352 6/20 0.66
POLB P06746 1/20 0.66
HSP90AA1 P07900 1/20 0.66
RXFP1 Q9HBX9 1/20 0.66
HPGD P15428 5/20 0.66
HSD17B10 Q99714 5/20 0.66
LMNA P02545 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
PIM1 P11309 2/20 0.52
TOP2A P11388 4/20 0.47
TOP1 P11387 3/20 0.47
ADRA2B P18089 1/20 0.47
MAPK1 P28482 1/20 0.47
PMP22 Q01453 1/20 0.46
TOP2B Q02880 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
SCHEMBL10371828 0.99 KDM4E (0.65) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL10374981 0.92 HPGD (0.75) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9869685 0.92 LMNA (0.68) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL10371959 0.92 KDM4E (0.64) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL10374985 0.91 HPGD (0.74) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL10372535 0.91 KDM4E (0.62) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL10373830 0.91 TOP2A (0.57) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL10372198 0.91 HPGD (0.55) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9870203 0.91 KDM4E (0.66) KDM4EALDH1A1POLBHSP90AA1RXFP1
SCHEMBL9870059 0.90 KDM4E (0.71) KDM4EALDH1A1POLBHSP90AA1RXFP1

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
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-0154780-B1 QUINOLINE ANTIBACTERIAL COMPOUNDS ABBOTT LABORATORIES (US) 1990-04-11 EP disclosed
EP-0154780-A1 Quinoline antibacterial compounds ABBOTT LABORATORIES (US) 1985-09-18 EP disclosed