SCHEMBL9521872

SCHEMBL9521872

CCC1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCN(C)CC4)cc3n21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
DRD3 P35462 1/20 0.55
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 8/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
HPGD P15428 3/20 0.51
NPC1 O15118 1/20 0.51
PRKD3 O94806 1/20 0.50
PIM1 P11309 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
IRAK1 P51617 1/20 0.50
RPS6KA3 P51812 1/20 0.50
DYRK1A Q13627 1/20 0.50
PIM3 Q86V86 1/20 0.50
CSNK1G3 Q9Y6M4 1/20 0.50
GAA P10253 1/20 0.48
RAD52 P43351 1/20 0.48
HSD17B10 Q99714 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
SCHEMBL9229670 0.92 LMNA (0.58) LMNADRD3ALDH1A1KDM4EMEN1
Hydrochloric Acid SCHEMBL9232646 0.91 LMNA (0.55) LMNADRD3ALDH1A1KDM4EMEN1
SCHEMBL9525435 0.89 KDM4E (0.49) LMNADRD3ALDH1A1KDM4EMEN1
SCHEMBL9523392 0.87 LMNA (0.68) LMNADRD3ALDH1A1KDM4EMEN1
Sulfuric Acid SCHEMBL9523234 0.83 LMNA (0.64) LMNADRD3ALDH1A1KDM4EMEN1
SCHEMBL9522306 0.83 LMNA (0.64) LMNADRD3ALDH1A1KDM4EMEN1
SCHEMBL9523182 0.83 LMNA (0.51) LMNADRD3ALDH1A1KDM4EMEN1
SCHEMBL9234158 0.83 LMNA (0.56) LMNADRD3ALDH1A1KDM4EMEN1
SCHEMBL9525499 0.83 LMNA (0.52) LMNADRD3ALDH1A1KDM4EMEN1
SCHEMBL9791312 0.82 KDM4E (0.52) LMNADRD3ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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