SCHEMBL9685705

SCHEMBL9685705

CN(C)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C(C)(C)C)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
DRD3 P35462 1/20 0.55
KDM4E B2RXH2 6/20 0.52
MEN1 O00255 6/20 0.52
KMT2A Q03164 6/20 0.52
HSD17B10 Q99714 5/20 0.52
LMNA P02545 5/20 0.52
HPGD P15428 5/20 0.52
TSHR P16473 2/20 0.52
HTT P42858 2/20 0.52
BRD4 O60885 1/20 0.52
CYP2J2 P51589 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
MAPT P10636 1/20 0.52
NPC1 O15118 1/20 0.51
CYP1A2 P05177 1/20 0.49
TOP2A P11388 1/20 0.49
CYP2C9 P11712 1/20 0.49
TOP2B Q02880 1/20 0.49
HIF1A Q16665 1/20 0.48

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
SCHEMBL9685571 0.88 ALDH1A1 (0.61) ALDH1A1DRD3KDM4EMEN1KMT2A
SCHEMBL9686875 0.88 ALDH1A1 (0.73) ALDH1A1DRD3KDM4EMEN1KMT2A
SCHEMBL9685706 0.85 ALDH1A1 (0.70) ALDH1A1DRD3KDM4EMEN1KMT2A
SCHEMBL9686810 0.81 ALDH1A1 (0.50) ALDH1A1DRD3KDM4EMEN1KMT2A
SCHEMBL5084153 0.80 ALDH1A1 (0.52) ALDH1A1DRD3KDM4EMEN1KMT2A
SCHEMBL9686268 0.80 ALDH1A1 (0.52) ALDH1A1DRD3KDM4EMEN1KMT2A
SCHEMBL9045127 0.80 TOP1 (0.61) ALDH1A1DRD3KDM4EKMT2AHSD17B10
SCHEMBL7845387 0.79 ALDH1A1 (0.46) ALDH1A1DRD3KDM4EMEN1KMT2A
SCHEMBL9686834 0.79 ALDH1A1 (0.50) ALDH1A1DRD3KDM4EMEN1KMT2A
SCHEMBL9685581 0.79 ALDH1A1 (0.55) ALDH1A1DRD3KDM4EMEN1KMT2A

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