SCHEMBL27438433

SCHEMBL27438433

Cc1cc(Nc2cc(Nc3ccc(N)c(C)c3)cc(Oc3ccc(N)c(C)c3)c2)ccc1N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
CYP3A4 P08684 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
THRB P10828 1/20 0.54
ALOX15 P16050 1/20 0.54
RECQL P46063 1/20 0.54
HIF1A Q16665 1/20 0.54
NR4A1 P22736 2/20 0.41
EIF2AK4 Q9P2K8 1/20 0.37
TSHR P16473 1/20 0.37
BRAF P15056 6/20 0.37
HDAC1 Q13547 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
SCN9A Q15858 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
HDAC3 O15379 3/20 0.36
HDAC4 P56524 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36

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
SCHEMBL29310143 0.86 MEN1 (0.44) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL29764083 0.84 CYP3A4 (0.71) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL29709 0.84 CYP3A4 (0.71) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL30970172 0.80 NR4A1 (0.56) ALDH1A1CYP3A4TDP1NR4A1TSHR
SCHEMBL31380 0.80 NR4A1 (0.56) ALDH1A1CYP3A4TDP1NR4A1TSHR
SCHEMBL486670 0.80 NR4A1 (0.61) ALDH1A1CYP3A4TDP1NR4A1TSHR
SCHEMBL11511767 0.80 CYP3A4 (0.77) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL3655280 0.79 ALDH1A1 (0.65) ALDH1A1CYP3A4TDP1THRBALOX15
SCHEMBL8762387 0.78 NR4A1 (0.58) ALDH1A1CYP3A4TDP1NR4A1TSHR
SCHEMBL310814 0.75 KMT2A (0.51) ALDH1A1CYP3A4TDP1NR4A1TSHR

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
WO-2024141321-A1 PHOTOCURABLE HYPERBRANCHED POLYIMIDE AND PREPARATION PROCESS THEREOF BASF SE (DE) 2024-07-04 WO disclosed