SCHEMBL11043855

SCHEMBL11043855

CON=C(C(=O)O)C(=O)OC(C)(C)Cc1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.37
TP53 P04637 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 6/20 0.36
GAA P10253 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALOX12 P18054 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL2786880 0.77 TP53 (0.59) SMN1; SMN2TP53NPC1RAB9APOLB
SCHEMBL3997590 0.73 GAA (0.60) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL9142414 0.73 GAA (0.60) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL6051576 0.73 GAA (0.60) SMN1; SMN2NPC1RAB9APOLBHPGD
Hydrochloric Acid SCHEMBL7776978 0.72 GAA (0.59) SMN1; SMN2NPC1RAB9APOLBHPGD
Hydrochloric Acid SCHEMBL9108028 0.72 GAA (0.59) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL9225979 0.72 GAA (0.59) SMN1; SMN2NPC1RAB9APOLBHPGD
SCHEMBL9225992 0.72 GAA (0.59) SMN1; SMN2NPC1RAB9APOLBHPGD
Ammonia Solution, Strong SCHEMBL9414597 0.72 GAA (0.59) SMN1; SMN2NPC1RAB9APOLBHPGD
Hydrochloric Acid SCHEMBL7776981 0.72 GAA (0.59) SMN1; SMN2NPC1RAB9APOLBHPGD

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-4476123-A Antibiotic derivatives, derived from cephalosporins with thiazolyl substituents, pharmaceutical preparations and salts thereof SANOFI (FR) 1984-10-09 US disclosed