SCHEMBL6301969

SCHEMBL6301969

O=C(O)C1(NC(=S)Nc2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
MAPT P10636 6/20 0.53
LMNA P02545 5/20 0.53
HTT P42858 4/20 0.53
GAA P10253 3/20 0.53
ALOX12 P18054 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
NPC1 O15118 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
HSPA9 P38646 3/20 0.51
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
KDM4E B2RXH2 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
NAMPT P43490 1/20 0.48
MITF O75030 1/20 0.48

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
SCHEMBL6295881 0.86 MEN1 (0.63) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL6297272 0.81 MEN1 (0.59) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL6297739 0.80 MEN1 (0.58) ALDH1A1SMN1; SMN2MAPTLMNAGAA
SCHEMBL29077640 0.79 MEN1 (0.51) ALDH1A1MAPTGAAALOX12TDP1
SCHEMBL14633632 0.78 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL6301912 0.78 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL28626232 0.77 TDP1 (0.51) ALDH1A1SMN1; SMN2MAPTGAATDP1
SCHEMBL5078630 0.76 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL6297678 0.74 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL10626089 0.74 MEN1 (0.57) ALDH1A1SMN1; SMN2MAPTLMNAGAA

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
US-6875764-B1 Urea and thiourea compounds useful for treatment of coccidiosis NEW PHARMA RESEARCH SWEDEN AB (SE) 2005-04-05 US disclosed