SCHEMBL9870128

SCHEMBL9870128

CCNCC1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c2F)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
TOP2A P11388 9/20 0.48
TOP2B Q02880 5/20 0.48
TOP1 P11387 3/20 0.48
KCNH2 Q12809 1/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 3/20 0.47
PMP22 Q01453 1/20 0.47
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
XBP1 P17861 1/20 0.46
NFKB1 P19838 1/20 0.46
HTT P42858 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
EPHA2 P29317 1/20 0.46
FLT4 P35916 1/20 0.46
GSK3B P49841 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
SCHEMBL9661954 0.92 KMT2A (0.48) KMT2ATOP2ATOP2BTOP1KCNH2
SCHEMBL9662874 0.91 KMT2A (0.47) KMT2ATOP2ATOP2BTOP1KCNH2
SCHEMBL9479167 0.91 KMT2A (0.47) KMT2ATOP2ATOP2BTOP1KCNH2
SCHEMBL10914315 0.90 TOP1 (0.42) KMT2ATOP2ATOP2BTOP1KCNH2
SCHEMBL10894425 0.90 TOP1 (0.51) KMT2ATOP2ATOP2BTOP1KCNH2
SCHEMBL9023293 0.88 KMT2A (0.51) KMT2ATOP2ATOP2BTOP1KCNH2
SCHEMBL9870058 0.88 KMT2A (0.51) KMT2ATOP2ATOP2BTOP1KDM4E
SCHEMBL10897095 0.87 KDM4E (0.55) TOP2ATOP2BTOP1KCNH2KDM4E
SCHEMBL10663128 0.87 TOP1 (0.55) KMT2ATOP1KDM4EALDH1A1HPGD
SCHEMBL10553439 0.87 KDM4E (0.45) KMT2ATOP2ATOP2BTOP1KDM4E

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-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