SCHEMBL23940638

SCHEMBL23940638

N=Cc1cc(C(c2ccc(O)c(N)c2)C(F)(F)F)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
GAA P10253 6/20 0.45
ALOX12 P18054 3/20 0.45
HTT P42858 2/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 5/20 0.41
ALOX15 P16050 4/20 0.41
HPGD P15428 3/20 0.41
PKM P14618 2/20 0.41
USP2 O75604 2/20 0.41
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
MAPT P10636 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
RECQL P46063 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL30536052 0.85 ALDH1A1 (0.59) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL22326130 0.85 ALDH1A1 (0.59) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL30428859 0.85 ALDH1A1 (0.59) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL24191011 0.76 ALDH1A1 (0.53) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL5190865 0.73 ALDH1A1 (0.57) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL23005780 0.71 ESR1 (0.50) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL24191012 0.71 ALDH1A1 (0.49) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL13766036 0.70 ALDH1A1 (0.69) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL19779528 0.70 HTT (0.52) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL1243946 0.69 ALDH1A1 (0.52) ALDH1A1GAAALOX12HTTHIF1A

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-3896521-A1 POLYMER, PHOTOSENSITIVE RESIN COMPOSITION, PATTERNING METHOD, METHOD OF FORMING CURED FILM, INTERLAYER INSULATING FILM, SURFACE PROTECTIVE FILM, AND ELECTRONIC COMPONENT Shin-Etsu Chemical Co., Ltd. (JP) 2021-10-20 EP disclosed