SCHEMBL11069641

SCHEMBL11069641

CCc1ccc(NC(=S)Nc2ccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.67
SMN1; SMN2 Q16637 10/20 0.67
MAPT P10636 10/20 0.63
LMNA P02545 8/20 0.63
HTT P42858 7/20 0.63
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
MAOA P21397 2/20 0.60
MAOB P27338 2/20 0.60
GLA P06280 1/20 0.58
CYP19A1 P11511 1/20 0.58
NPSR1 Q6W5P4 3/20 0.58
TP53 P04637 2/20 0.58
ALOX12 P18054 2/20 0.58
MAPK1 P28482 1/20 0.58
HSP90AA1 P07900 1/20 0.58
XBP1 P17861 1/20 0.58
POLB P06746 2/20 0.56
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL8956783 0.94 MEN1 (0.64) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL7033500 0.87 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL11972956 0.87 MEN1 (0.60) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL6301912 0.87 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL14633632 0.87 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL4124277 0.86 MEN1 (0.74) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL11047722 0.86 MEN1 (0.74) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL12069189 0.86 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL29988517 0.86 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2MAPTLMNAHTT
SCHEMBL9453953 0.83 RAB9A (0.66) ALDH1A1SMN1; SMN2MAPTPOLBKDM4E

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-4461821-A Photoconductive compositions and electrophotographic photosensitive materials comprising an organic photoconductor and a thiourea compound FUJI PHOTO FILM CO., LTD. (JP) 1984-07-24 US disclosed