SCHEMBL9814439

SCHEMBL9814439

FC(F)(F)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.54
MAPT P10636 2/20 0.54
HPGD P15428 2/20 0.54
POLB P06746 1/20 0.54
AR P10275 5/20 0.50
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
HTT P42858 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
CACNA1H O95180 3/20 0.45
EGLN1 Q9GZT9 1/20 0.42
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
CACNA1G O43497 1/20 0.40

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
SCHEMBL18659704 0.89 AR (0.50) KDM4EMAPTHPGDPOLBAR
SCHEMBL5987289 0.87 AR (0.62) KDM4EMAPTHPGDPOLBAR
SCHEMBL2418527 0.84 CACNA1H (0.46) KDM4EMAPTHPGDPOLBAR
SCHEMBL18659702 0.82 AR (0.50) KDM4EMAPTHPGDPOLBAR
SCHEMBL15340808 0.81 KDM4E (0.53) KDM4EMAPTHPGDPOLBAR
SCHEMBL7795894 0.81 CACNA1H (0.44) KDM4EMAPTHPGDPOLBAR
SCHEMBL5681325 0.81 HTR3E (0.49) KDM4EMAPTARALDH1A1HTT
SCHEMBL21066380 0.81 EGLN1 (0.44) ARHTTCACNA1HEGLN1LMNA
SCHEMBL12020706 0.81 MAPT (0.57) KDM4EMAPTHPGDPOLBAR
SCHEMBL15330111 0.78 KDM4E (0.53) KDM4EMAPTHPGDPOLBAR

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-0251013-B1 FLUORINE CONTAINING O-AMINOPHENOLS BAYER AG (DE) 1991-08-21 EP disclosed
EP-0251013-A2 Fluorine containing o-aminophenols BAYER AG (DE) 1988-01-07 EP disclosed