SCHEMBL9524182

SCHEMBL9524182

CCOC(=O)c1c2n(c3cc(N4CCN(C)CC4)c(F)cc3c1=O)C(c1ccc([N+](=O)[O-])cc1)S2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.42
KDM4E B2RXH2 8/20 0.42
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
RAD52 P43351 1/20 0.41
DRD3 P35462 1/20 0.41
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL10567506 0.91 MEN1 (0.46) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9522639 0.89 KDM4E (0.44) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9523011 0.89 LMNA (0.46) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9522285 0.82 LMNA (0.57) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9522681 0.82 KDM4E (0.45) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9525435 0.81 KDM4E (0.49) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9522092 0.81 PRKD3 (0.42) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9523618 0.81 KDM4E (0.43) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9232091 0.81 LMNA (0.48) ALDH1A1KDM4EHPGDHSD17B10LMNA
SCHEMBL9231555 0.81 KDM4E (0.48) ALDH1A1KDM4EHPGDHSD17B10LMNA

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