SCHEMBL9403395

SCHEMBL9403395

Cc1cc(C)c(N)c(Nc2cccc3cc(O)ccc23)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.53
TP53 P04637 2/20 0.53
MEN1 O00255 1/20 0.53
BLM P54132 1/20 0.53
KMT2A Q03164 1/20 0.53
TLR8 Q9NR97 1/20 0.42
MAPT P10636 3/20 0.41
HSD17B10 Q99714 3/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 1/20 0.41
ALOX15 P16050 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
RUNX1 Q01196 1/20 0.41
CBFB Q13951 1/20 0.41
TSHR P16473 1/20 0.36
EGFR P00533 2/20 0.36
KDR P35968 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL23868952 0.73 ESR1 (0.43) ALDH1A1TP53MEN1KMT2ATLR8
SCHEMBL27937958 0.69 TLR8 (0.45) MEN1KMT2ATLR8GAA
SCHEMBL11147478 0.68 CDC25B (0.65) ALDH1A1TP53MEN1KMT2AMAPT
SCHEMBL25452375 0.68 ADRA2A (0.50) ALDH1A1TP53MEN1KMT2AMAPT
SCHEMBL1402424 0.67 CYP1A2 (0.63) ALDH1A1TLR8HSD17B10TSHRTDP1
SCHEMBL10654473 0.66 ALDH1A1 (0.56) ALDH1A1TP53MEN1BLMKMT2A
SCHEMBL176305 0.65 RXFP1 (0.54) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL9156203 0.64 CASP6 (0.64) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL19680603 0.64 LMNA (0.66) ALDH1A1TP53MEN1KMT2ATLR8
SCHEMBL9388104 0.63 KDM4E (0.44) ALDH1A1TP53KMT2AMAPTKDM4E

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
US-5338740-A Angiotensin II receptor antagonists PFIZER INC. (US) 1994-08-16 US disclosed