SCHEMBL9749304

SCHEMBL9749304

CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4)c3c2F)C(CO)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 12/20 0.48
ALDH1A1 P00352 8/20 0.47
POLB P06746 2/20 0.47
HSP90AA1 P07900 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PIM1 P11309 2/20 0.47
HPGD P15428 7/20 0.46
HSD17B10 Q99714 7/20 0.46
TOP1 P11387 2/20 0.43
TOP2A P11388 1/20 0.43
ALB P02768 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ADRA2B P18089 1/20 0.42
MAPK1 P28482 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42

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
SCHEMBL9749310 0.90 LMNA (0.41) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9749297 0.88 KDM4E (0.50) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL10425974 0.88 KDM4E (0.50) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9750401 0.86 KDM4E (0.53) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9749343 0.83 KDM4E (0.61) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL10425073 0.83 KDM4E (0.70) MEN1KMT2AKDM4EALDH1A1POLB
SCHEMBL9869685 0.83 LMNA (0.68) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9749353 0.83 KCNH2 (0.55) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL9749882 0.83 KDM4E (0.51) LMNAMEN1KMT2AKDM4EALDH1A1
SCHEMBL9749281 0.80 LMNA (0.50) LMNAMEN1KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0216345-B1 QUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1992-02-19 EP disclosed
US-4977265-A WITH BACTERICIDAL ACTIVITY HOFFMANN-LA ROCHE INC. (US) 1990-12-11 US disclosed
US-4946847-A BACTERICIDES HOFFMANN-LA ROCHE INC. (US) 1990-08-07 US disclosed
US-4806541-A ANTIBACTERIAL AGENTS HOFFMANN-LA ROCHE INC. (US) 1989-02-21 US disclosed
EP-0216345-A2 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-04-01 EP disclosed