SCHEMBL9749310

SCHEMBL9749310

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 11/20 0.39
HPGD P15428 6/20 0.38
HSD17B10 Q99714 6/20 0.38
ALDH1A1 P00352 7/20 0.38
PIM1 P11309 2/20 0.37
POLB P06746 2/20 0.36
HSP90AA1 P07900 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TOP1 P11387 2/20 0.36
ALB P02768 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ADRA2B P18089 1/20 0.34
MAPK1 P28482 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34

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
SCHEMBL9749304 0.90 LMNA (0.53) LMNAMEN1KMT2AKDM4EHPGD
SCHEMBL9749299 0.89 KDM4E (0.40) LMNAMEN1KMT2AKDM4EHPGD
SCHEMBL9750404 0.86 KDM4E (0.42) LMNAMEN1KMT2AKDM4EHPGD
SCHEMBL9749893 0.84 KDM4E (0.40) LMNAKDM4EHPGDHSD17B10ALDH1A1
SCHEMBL9749358 0.84 KCNH2 (0.45) LMNAMEN1KMT2AKDM4EHPGD
SCHEMBL10588254 0.84 KDM4E (0.53) LMNAMEN1KMT2AKDM4EHPGD
SCHEMBL10649327 0.81 KDM4E (0.39) LMNAMEN1KMT2AKDM4EHPGD
Hydrochloric Acid SCHEMBL9668992 0.81 KDM4E (0.38) LMNAMEN1KMT2AKDM4EHPGD
SCHEMBL9212047 0.80 TOP1 (0.39) LMNAMEN1KMT2AKDM4EHPGD
SCHEMBL10914301 0.79 KDM4E (0.52) LMNAMEN1KMT2AKDM4EHPGD

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 2 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
EP-0216345-A2 Quinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-04-01 EP disclosed