SCHEMBL7654030

SCHEMBL7654030

CSc1ccc(NC(=S)Nc2ccc(NC(=O)c3cc(F)ccc3F)cc2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
MAPT P10636 5/20 0.49
ALDH1A1 P00352 5/20 0.49
HTT P42858 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
GAA P10253 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FADS1 O60427 2/20 0.43
POLB P06746 2/20 0.43
NPY1R P25929 1/20 0.43
NPY2R P49146 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6814905 0.88 NPC1 (0.58) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL7654038 0.83 MAPT (0.41) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL6819700 0.82 MAPT (0.52) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL6815054 0.82 GRM4 (0.58) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL6814300 0.80 DHODH (0.56) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL6815736 0.78 ALDH1A1 (0.58) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL6811608 0.78 GRM4 (0.51) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL6811246 0.77 ALDH1A1 (0.67) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL6814383 0.76 NPC1 (0.55) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL6814740 0.75 ALDH1A1 (0.59) MEN1KMT2AMAPTALDH1A1HTT

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-6407249-B1 COMPOUNDS CONTAINING FURAN RING STRUCTURE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed