SCHEMBL30744028

SCHEMBL30744028

Cc1cc(NC(=O)Nc2ccc(Oc3ccccc3)c(C)c2)ccc1Oc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK39 Q9UEW8 1/20 0.60
DHODH Q02127 1/20 0.56
PGR P06401 1/20 0.55
AR P10275 1/20 0.55
IDH1 O75874 1/20 0.53
P2RY1 P47900 1/20 0.52
KDR P35968 1/20 0.49
TEK Q02763 1/20 0.49
RAF1 P04049 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
NPC1 O15118 3/20 0.49
MAPT P10636 3/20 0.49
RAB9A P51151 3/20 0.49
ALOX5 P09917 1/20 0.48
EPHX2 P34913 1/20 0.48
PNLIP P16233 2/20 0.48
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48

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
SCHEMBL21305446 1.00 STK39 (0.60) STK39DHODHPGRARIDH1
SCHEMBL21295431 0.97 STK39 (0.58) STK39DHODHPGRARIDH1
SCHEMBL21295331 0.94 STK39 (0.56) STK39DHODHPGRARIDH1
SCHEMBL21295557 0.93 STK39 (0.57) STK39DHODHPGRARIDH1
SCHEMBL30743998 0.93 STK39 (0.57) STK39DHODHPGRARIDH1
SCHEMBL21295412 0.92 STK39 (0.62) STK39DHODHPGRARNR1H4
SCHEMBL23051396 0.92 KMT2A (0.58) STK39DHODHPGRARIDH1
SCHEMBL30744002 0.92 STK39 (0.54) STK39DHODHPGRARIDH1
SCHEMBL21295337 0.92 STK39 (0.54) STK39DHODHPGRARIDH1
SCHEMBL21295385 0.91 TP53 (0.64) PGRARRAF1NPC1MAPT

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
CN-111819172-B Triazine derivatives for the treatment of neurotrophin related diseases 阿泽克制药公司 2024-02-06 CN disclosed