SCHEMBL9522977

SCHEMBL9522977

CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)c2n3CS2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
DRD3 P35462 1/20 0.54
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
LMNA P02545 3/20 0.52
KDM4E B2RXH2 7/20 0.50
NPC1 O15118 2/20 0.50
HPGD P15428 2/20 0.50
PRKD3 O94806 1/20 0.49
PIM1 P11309 1/20 0.49
GSK3A P49840 1/20 0.49
GSK3B P49841 1/20 0.49
IRAK1 P51617 1/20 0.49
RPS6KA3 P51812 1/20 0.49
DYRK1A Q13627 1/20 0.49
PIM3 Q86V86 1/20 0.49
CSNK1G3 Q9Y6M4 1/20 0.49
GAA P10253 1/20 0.47
RAD52 P43351 1/20 0.47
GLA P06280 1/20 0.43

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
SCHEMBL10978022 0.90 ALDH1A1 (0.53) ALDH1A1DRD3MEN1KMT2ALMNA
SCHEMBL9522013 0.89 ALDH1A1 (0.55) ALDH1A1DRD3MEN1KMT2ALMNA
SCHEMBL9523354 0.88 PRKD3 (0.48) ALDH1A1DRD3MEN1KMT2ALMNA
SCHEMBL9525097 0.87 PRKD3 (0.47) ALDH1A1DRD3MEN1KMT2ALMNA
SCHEMBL9525764 0.87 ALDH1A1 (0.40) ALDH1A1DRD3MEN1KMT2ALMNA
SCHEMBL9523101 0.87 LMNA (0.53) ALDH1A1DRD3MEN1KMT2ALMNA
SCHEMBL9523291 0.86 KDM4E (0.51) ALDH1A1DRD3MEN1KMT2ALMNA
SCHEMBL10770292 0.83 ALDH1A1 (0.41) ALDH1A1DRD3MEN1KMT2ALMNA
SCHEMBL8323537 0.82 PIM1 (0.41) ALDH1A1DRD3KMT2ALMNAKDM4E
SCHEMBL10979020 0.81 PIM1 (0.73) ALDH1A1DRD3MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4843070-A BACTERIDCIDES, FUNGICIDES NIPPON SHINYAKU CO., LTD. (JP) 1989-06-27 US claimed
EP-0249043-B1 QUINOLINECARBOXYLIC ACID DERIVATIVES NIPPON SHINYAKU COMPANY, LIMITED (JP) 1993-08-04 EP disclosed
US-4843070-A BACTERIDCIDES, FUNGICIDES NIPPON SHINYAKU CO., LTD. (JP) 1989-06-27 US disclosed
EP-0249043-A2 Quinolinecarboxylic acid derivatives NIPPON SHINYAKU COMPANY, LIMITED (JP) 1987-12-16 EP disclosed