SCHEMBL9258854

SCHEMBL9258854

CCOC(=O)c1cn(-c2ccc(F)cc2F)c2nc(N3CCC(O)(CN(C)C)C3)c(F)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ SLC6A3 Q01959 2/20 0.48
▸ EPHA2 P29317 1/20 0.48
▸ FLT4 P35916 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ RARB P10826 1/20 0.48
▸ TBXAS1 P24557 1/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ LMNA P02545 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ MAPT P10636 2/20 0.38
▸ THRB P10828 1/20 0.38

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
SCHEMBL9717969 0.90 KMT2A (0.60) KMT2ASLC6A3EPHA2FLT4GSK3B
Hydrochloric Acid SCHEMBL9256214 0.89 KMT2A (0.59) KMT2ASLC6A3EPHA2FLT4GSK3B
SCHEMBL10549064 0.83 KMT2A (0.56) KMT2ASLC6A3EPHA2FLT4GSK3B
SCHEMBL5571971 0.82 KMT2A (0.57) KMT2ASLC6A3EPHA2FLT4GSK3B
SCHEMBL10552247 0.80 KMT2A (0.79) KMT2ASLC6A3EPHA2FLT4GSK3B
SCHEMBL21440599 0.79 MAPT (0.45) KMT2ASLC6A3EPHA2FLT4GSK3B
SCHEMBL7610001 0.79 EPHA2 (0.77) KMT2ASLC6A3EPHA2FLT4GSK3B
SCHEMBL7610008 0.79 EPHA2 (0.77) KMT2ASLC6A3EPHA2FLT4GSK3B
SCHEMBL5416374 0.78 KMT2A (0.52) KMT2ASLC6A3EPHA2FLT4GSK3B
SCHEMBL10549291 0.78 KMT2A (0.49) KMT2ASLC6A3EPHA2FLT4GSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5453422-A Animal growth promoters BAYER AKTIENGESELLSCHAFT (DE) 1995-09-26 — — US disclosed
US-5284842-A Active against gramnegative bacteria BAYER AKTIENGESELLSCHAFT (DE) 1994-02-08 — — US disclosed
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