SCHEMBL9066487

SCHEMBL9066487

CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@@H]4C[C@H](N)[C@@H]4C3)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.53
EPHA2 P29317 1/20 0.50
FLT4 P35916 1/20 0.50
GSK3B P49841 1/20 0.50
RARB P10826 1/20 0.50
TBXAS1 P24557 1/20 0.50
SLC6A3 Q01959 1/20 0.50
DPP4 P27487 6/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 2/20 0.48
HPGD P15428 1/20 0.48
XBP1 P17861 1/20 0.48
NFKB1 P19838 1/20 0.48
HTT P42858 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
CYP2C9 P11712 2/20 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
SCHEMBL7853991 1.00 KMT2A (0.53) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9067749 0.92 EPHA2 (0.54) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL7853994 0.89 KMT2A (0.43) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9044442 0.87 KMT2A (0.67) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9686011 0.87 KMT2A (0.67) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9685896 0.87 KMT2A (0.67) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL7850679 0.86 DPP4 (0.65) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9066534 0.86 DPP4 (0.65) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL9066624 0.86 DPP4 (0.65) KMT2AEPHA2FLT4GSK3BRARB
SCHEMBL10391042 0.83 KMT2A (0.53) KMT2AEPHA2FLT4GSK3BRARB

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-5527910-A BACTERICIDES; STAPHYLOCOCCUS, STREPTOCOCCUS INFECTIONS CHEIL FOODS & CHEMICALS, INC. (KR) 1996-06-18 US claimed
US-5527910-A BACTERICIDES; STAPHYLOCOCCUS, STREPTOCOCCUS INFECTIONS CHEIL FOODS & CHEMICALS, INC. (KR) 1996-06-18 US disclosed