SCHEMBL27338591

SCHEMBL27338591

O=C(Nc1ccccc1)NN1C(=O)CCC1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
TP53 P04637 1/20 0.55
EPHX1 P07099 1/20 0.55
EPHX2 P34913 1/20 0.55
CDK9 P50750 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
FPR2 P25090 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TAAR1 Q96RJ0 2/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL5758743 0.93 TSHR (0.54) TSHRTP53EPHX1EPHX2CDK9
SCHEMBL14935624 0.80 SMN1; SMN2 (0.48) TSHRTP53EPHX1EPHX2CDK9
SCHEMBL3396184 0.77 TSHR (0.58) TSHRTP53EPHX1EPHX2CDK9
SCHEMBL9042394 0.76 CCKBR (0.41) TSHRTP53EPHX1EPHX2CDK9
SCHEMBL31299898 0.76 KDM4E (0.39) ALDH1A1MAPTCA12CA1CA9
SCHEMBL26809469 0.74 HTT (0.54) SMN1; SMN2ALDH1A1HTTKMT2AMEN1
Diphenylurea SCHEMBL133103 0.73 SMN1; SMN2 (1.00) TSHRTP53EPHX1EPHX2CDK9
SCHEMBL8961559 0.73 TP53 (0.57) TSHRTP53EPHX1EPHX2CDK9
SCHEMBL4394297 0.72 CYP1A2 (0.57) ALDH1A1HTTGAAMAPT
Diphenylurea SCHEMBL28431956 0.71 SMN1; SMN2 (0.94) TSHRTP53EPHX1EPHX2CDK9

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-1049846-A Glutarimide with weeding activity ROHM & HAAS (US) 1991-03-13 CN disclosed