SCHEMBL5758743

SCHEMBL5758743

O=C(Nc1ccccc1)NN1C(=O)CCCC1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.54
TP53 P04637 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
EPHX1 P07099 2/20 0.52
EPHX2 P34913 2/20 0.52
CDK9 P50750 1/20 0.52
CLK4 Q9HAZ1 1/20 0.52
HTT P42858 2/20 0.51
RAB9A P51151 5/20 0.50
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
NPC1 O15118 4/20 0.50
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL27338591 0.93 TSHR (0.55) TSHRTP53SMN1; SMN2EPHX1EPHX2
SCHEMBL3396184 0.81 TSHR (0.58) TSHRTP53SMN1; SMN2EPHX1EPHX2
SCHEMBL14935624 0.78 SMN1; SMN2 (0.48) TSHRTP53SMN1; SMN2EPHX1EPHX2
SCHEMBL11213475 0.74 CYP1A2 (0.53) TSHRSMN1; SMN2HTTRAB9AKMT2A
SCHEMBL8961559 0.74 TP53 (0.57) TSHRTP53SMN1; SMN2EPHX1EPHX2
SCHEMBL9042394 0.73 CCKBR (0.41) TSHRTP53SMN1; SMN2EPHX1EPHX2
SCHEMBL5918694 0.72 KMT2A (0.62) SMN1; SMN2EPHX2RAB9AKMT2AMEN1
Diphenylurea SCHEMBL133103 0.71 SMN1; SMN2 (1.00) TSHRTP53SMN1; SMN2EPHX1EPHX2
SCHEMBL27552925 0.70 HTT (0.59) TSHRTP53SMN1; SMN2HTTRAB9A
SCHEMBL876242 0.69 CASP1 (0.48) SMN1; SMN2HTTRAB9ANPC1ALDH1A1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1004580-B1 Imides as inhibitors of TNF alpha CELGENE CORP (US) 2006-12-20 EP disclosed
EP-1477486-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2004-11-17 EP disclosed
US-6200987-B1 ADMINISTERING AS TUMOR NECROSIS FACTOR INHIBITORS; CACHEXIA, ENDOTOXIN SHOCK; RETROVIRUS VIRICIDES CELGENE CORPORATION 2001-03-13 US disclosed
US-6075041-A TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 2000-06-13 US disclosed
EP-1004581-A2 Process for the preparation of thalidomide CELGENE CORPORATION (US) 2000-05-31 EP disclosed
EP-1004580-A2 Imides as inhibitors of TNF alpha CELGENE CORPORATION (US) 2000-05-31 EP disclosed
EP-1004572-A2 Amines as inhibitors of TNF alpha CELGENE CORPORATION (US) 2000-05-31 EP disclosed
US-5877200-A Cyclic amides CELGENE CORPORATION (US) 1999-03-02 US disclosed
US-5698579-A INHIBITOR OF TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-12-16 US disclosed
US-5605914-A INHIBITORS OF TUMOR NECROSIS FACTOR CELGENE CORPORATION (US) 1997-02-25 US disclosed
EP-0706521-A1 NOVEL IMIDES CELGENE CORPORATION (US) 1996-04-17 EP disclosed
US-5463063-A Preparation of thalidomide; inhibitor of tumor necrosis factor CELGENE CORPORATION (US) 1995-10-31 US disclosed
WO-1995001348-A2 IMIDES AS INHIBITORS OF TNP ALPHA CELGENE CORPORATION (US) 1995-01-12 WO disclosed