SCHEMBL7672976

SCHEMBL7672976

COc1cc(NC(=O)c2ccccc2F)ccc1NC(=S)Nc1cccc(SCCl)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
KMT2A Q03164 4/20 0.60
KDM4E B2RXH2 2/20 0.60
MAPT P10636 4/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
HPGD P15428 1/20 0.54
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
RXFP1 Q9HBX9 2/20 0.46
GAA P10253 2/20 0.46
GRM4 Q14833 1/20 0.44
LMNA P02545 1/20 0.44
PYGL P06737 2/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 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
SCHEMBL7672982 0.81 MAPT (0.52) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL6815564 0.81 ALDH1A1 (0.71) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL6814804 0.80 ALDH1A1 (0.74) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL6811246 0.80 ALDH1A1 (0.67) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL6816245 0.79 KMT2A (0.76) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL7672986 0.79 ALDH1A1 (0.69) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL6815021 0.79 ALDH1A1 (0.71) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL6815634 0.77 NPC1 (0.68) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL6815238 0.76 KMT2A (0.77) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2
SCHEMBL6815822 0.76 ALDH1A1 (0.69) ALDH1A1KMT2AKDM4EMAPTSMN1; SMN2

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-6410571-B1 VIRICIDES AMERICAN HOME PRODUCTS CORPORATION 2002-06-25 US disclosed