SCHEMBL9502593

SCHEMBL9502593

Nc1ccc(F)cc1OC(F)(F)C(F)Cl

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
KEAP1 Q14145 1/20 0.33
PDE2A O00408 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30
CRHBP P24387 1/20 0.30
CRHR2 Q13324 1/20 0.30

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
SCHEMBL3075356 0.81 ALDH1A1 (0.41) ALDH1A1LMNAPOLBKDM4EMAPT
SCHEMBL7753023 0.78 LMNA (0.34) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL2544959 0.78 ALDH1A1 (0.46) ALDH1A1HRH4KEAP1PDE2AKDM4E
SCHEMBL10580324 0.77 ALDH1A1 (0.38) ALDH1A1HRH4KEAP1KDM4EMAPT
SCHEMBL10585944 0.75 PDE2A (0.32) LMNAPOLBPDE2A
SCHEMBL7751646 0.74 LMNA (0.42) ALDH1A1LMNAPOLB
SCHEMBL9488751 0.73 LMNA (0.41) ALDH1A1LMNAPOLBPDE2A
SCHEMBL9687331 0.72 NR4A1 (0.45) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL10936394 0.71 GAA (0.41) ALDH1A1LMNAPOLBMEN1KMT2A
SCHEMBL2313110 0.71 ALDH1A1 (0.46) ALDH1A1KEAP1KMT2AKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0318781-B1 ALKOXYANILINES CONTAINING FLUORINE ATOMS ON THE AROMATIC RING AND ON THE SIDE CHAINS AND PROCESS FOR THE PREPARATION OF ALKOXYANILINES CONTAINING FLUORINE ATOMS ON THE AROMATIC RING AND ON THE SIDE CHAIN BAYER AG (DE) 1993-06-23 EP disclosed