SCHEMBL9685896

SCHEMBL9685896

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.67
DPP4 P27487 6/20 0.50
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
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
LMNA P02545 2/20 0.49
CYP2C9 P11712 2/20 0.49
CHRM2 P08172 2/20 0.49
CHRM1 P11229 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
ATP6V1B2 P21281 1/20 0.49
TBXA2R P21731 1/20 0.49
EDNRA P25101 1/20 0.49
TARBP2 Q15633 1/20 0.49

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
SCHEMBL9686011 1.00 KMT2A (0.67) KMT2ADPP4EPHA2FLT4GSK3B
SCHEMBL9044442 1.00 KMT2A (0.67) KMT2ADPP4EPHA2FLT4GSK3B
SCHEMBL10391042 0.88 KMT2A (0.53) KMT2ADPP4EPHA2FLT4GSK3B
SCHEMBL9066487 0.87 KMT2A (0.53) KMT2ADPP4EPHA2FLT4GSK3B
SCHEMBL7853991 0.87 KMT2A (0.53) KMT2ADPP4EPHA2FLT4GSK3B
SCHEMBL9129494 0.86 KMT2A (0.58) KMT2ADPP4EPHA2FLT4GSK3B
SCHEMBL9685951 0.85 DPP4 (0.54) KMT2ADPP4EPHA2FLT4GSK3B
SCHEMBL9685965 0.85 DPP4 (0.54) KMT2ADPP4EPHA2FLT4GSK3B
SCHEMBL9686968 0.85 DPP4 (0.54) KMT2ADPP4EPHA2FLT4GSK3B
SCHEMBL9685533 0.85 DPP4 (0.54) KMT2ADPP4EPHA2FLT4GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288519-A4 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS 1992-04-15 EP disclosed
US-4965273-A Certain 1-tertiary-butyl-naphthyridone carboxylic acid derivatives anti-bacterial agents BRISTOL-MYERS COMPANY (US) 1990-10-23 US disclosed
US-4954507-A 1-tertiary-alkyl-substituted naphthyridine carboxylic acid antibacterial agents BRISTOL-MYERS COMPANY (US) 1990-09-04 US disclosed
EP-0288519-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS Bristol-Myers Squibb Company (US) 1988-11-02 EP disclosed
EP-0266576-A2 1-Tert-alkyl-substituted naphthyridine and quinoline carboxylic acids as antibacterial agents Bristol-Myers Squibb Company (US) 1988-05-11 EP disclosed
WO-1988002627-A1 1-TERTIARY-ALKYL-SUBSTITUTED NAPHTHYRIDINE- AND QUINOLINE-CARBOXYLIC ACID ANTIBACTERIAL AGENTS BRISTOL-MYERS COMPANY (US) 1988-04-21 WO disclosed