SCHEMBL7960228

SCHEMBL7960228

O=C(NC1=CC(=O)OC1)NC1CCCN1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
RAB9A P51151 3/20 0.30
NPC1 O15118 2/20 0.30
TP53 P04637 1/20 0.30
NFKB1 P19838 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
EPHX1 P07099 1/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL7517058 0.80 SMN1; SMN2 (0.50) SMN1; SMN2MEN1HTTKMT2ARAB9A
SCHEMBL7516271 0.78 SMN1; SMN2 (0.39) SMN1; SMN2MEN1HTTKMT2ARAB9A
SCHEMBL7973282 0.77 MEN1 (0.33) SMN1; SMN2MEN1HTTKMT2ARAB9A
SCHEMBL7525016 0.69 KMT2A (0.38) SMN1; SMN2MEN1KMT2ARAB9ANPC1
SCHEMBL7524432 0.68 SMN1; SMN2 (0.47) SMN1; SMN2MEN1HTTKMT2ARAB9A
SCHEMBL11730797 0.67 CNR2 (0.32) EPHX2
SCHEMBL7519607 0.66 FFAR2 (0.34)
SCHEMBL7519247 0.65 SMN1; SMN2 (0.55) SMN1; SMN2MEN1HTTKMT2ARAB9A
SCHEMBL7526790 0.65 ALDH1A1 (0.40) SMN1; SMN2HTTKMT2ARAB9ANPC1
SCHEMBL11731624 0.65 KDM4E (0.32) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6333346-B1 AMINOFURANONEUREAS OR THIOUREAS 4-AMINO-2(5H)-THIOPHENONES AS ANTITUMOR AGENTS ROCHE DIAGNOSTICS GMBH (DE) 2001-12-25 US disclosed
EP-1009747-A1 UREIDO AND THIOUREIDO DERIVATIVES OF 4-AMINO-2(5H)-FURANONES AND 4-AMINO-2(5H)-THIOPHENONES AS ANTITUMOR AGENTS Roche Diagnostics GmbH (DE) 2000-06-21 EP disclosed
WO-1999012917-A1 UREIDO AND THIOUREIDO DERIVATIVES OF 4-AMINO-2(5H)-FURANONES AND 4-AMINO-2(5H)-THIOPHENONES AS ANTITUMOR AGENTS ROCHE DIAGNOSTICS GMBH (DE) 1999-03-18 WO disclosed