SCHEMBL30743998

SCHEMBL30743998

CNC(=O)Nc1ccc(Oc2ccccc2)c(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK39 Q9UEW8 1/20 0.57
DHODH Q02127 1/20 0.53
PGR P06401 1/20 0.52
AR P10275 1/20 0.52
GCK P35557 1/20 0.49
IDH1 O75874 1/20 0.47
KDR P35968 1/20 0.47
TEK Q02763 1/20 0.47
AURKB Q96GD4 3/20 0.46
AURKA O14965 2/20 0.46
TPX2 Q9ULW0 2/20 0.46
P2RY1 P47900 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
PNLIP P16233 3/20 0.45
PARG Q86W56 1/20 0.45
HPGD P15428 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAF1 P04049 1/20 0.44
NPC1 O15118 2/20 0.44
CRHBP P24387 1/20 0.43

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
SCHEMBL21295557 1.00 STK39 (0.57) STK39DHODHPGRARGCK
SCHEMBL21305446 0.93 STK39 (0.60) STK39DHODHPGRARIDH1
SCHEMBL30744028 0.93 STK39 (0.60) STK39DHODHPGRARIDH1
SCHEMBL21295431 0.90 STK39 (0.58) STK39DHODHPGRARIDH1
SCHEMBL21295412 0.88 STK39 (0.62) STK39DHODHPGRARAURKB
SCHEMBL21295331 0.87 STK39 (0.56) STK39DHODHPGRARIDH1
SCHEMBL11839041 0.86 ALDH1A1 (0.58) STK39PGRARKDRPNLIP
SCHEMBL23051396 0.85 KMT2A (0.58) STK39DHODHPGRARIDH1
SCHEMBL21295337 0.85 STK39 (0.54) STK39DHODHPGRARIDH1
SCHEMBL30744002 0.85 STK39 (0.54) STK39DHODHPGRARIDH1

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