SCHEMBL20649245

SCHEMBL20649245

C[C@](N)(CO)C(=O)Nc1ccc(C(=O)Nc2ccn(CCOCCOCCCl)c(=O)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 9/20 0.36
TP53 P04637 3/20 0.33
MAPT P10636 3/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 3/20 0.33
RAB9A P51151 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
GFER P55789 1/20 0.33
POLB P06746 3/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL20648883 1.00 MAP3K5 (0.36) MAP3K5TP53MAPTLMNANPC1
SCHEMBL20648885 0.99 MAP3K5 (0.36) MAP3K5TP53MAPTLMNANPC1
SCHEMBL20648879 0.99 MAP3K5 (0.36) MAP3K5TP53MAPTLMNANPC1
SCHEMBL20648880 0.90 TP53 (0.34) MAP3K5TP53MAPTLMNASMN1; SMN2
SCHEMBL20648886 0.90 TP53 (0.34) MAP3K5TP53MAPTLMNASMN1; SMN2
SCHEMBL20648878 0.89 TP53 (0.34) MAP3K5TP53MAPTLMNASMN1; SMN2
SCHEMBL20648776 0.86 MAP3K5 (0.39) MAP3K5MAPTLMNANPC1RAB9A
SCHEMBL20649215 0.83 MAP3K5 (0.46) MAP3K5MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL20648931 0.82 CA2 (0.34) LMNANPC1RAB9ASMN1; SMN2POLB
SCHEMBL20648656 0.82 NPC1 (0.39) MAP3K5LMNANPC1RAB9ASMN1; 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
WO-2019013789-A1 ANTIMICROBIAL COMPOUNDS CURZA GLOBAL, LLC (US) 2019-01-17 WO disclosed