SCHEMBL7973282

SCHEMBL7973282

O=C(NC1=CC(=O)SC1)NC1CCCN1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
GFER P55789 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
EPHX1 P07099 3/20 0.31
EPHX2 P34913 1/20 0.31
PSMB8 P28062 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
SCHEMBL7526062 0.79 RAB9A (0.42) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL7960228 0.77 SMN1; SMN2 (0.31) MEN1KMT2ASMN1; SMN2HTTRAB9A
SCHEMBL7524755 0.66 SMN1; SMN2 (0.55) MEN1KMT2ATSHRMAPTSMN1; SMN2
SCHEMBL38659335 0.64
SCHEMBL27855890 0.64
SCHEMBL11282807 0.63 SMN1; SMN2 (0.48) MEN1KMT2ATSHRALDH1A1MAPT
SCHEMBL5243230 0.63
SCHEMBL6803748 0.62 NPC1 (0.50) MEN1KMT2ATSHRALDH1A1ALOX15
SCHEMBL3914804 0.61 EPHX1 (0.38) MEN1KMT2AALDH1A1MAPTALOX15
SCHEMBL25143774 0.61 DDB1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2HTT

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