SCHEMBL7866697

SCHEMBL7866697

CC(C)(C)OC(=O)NCCCN.Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCCCNC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.65
L3MBTL1 Q9Y468 1/20 0.59
NPC1 O15118 1/20 0.59
ATM Q13315 2/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 3/20 0.55
ALOX15 P16050 1/20 0.55
POLB P06746 1/20 0.55
LMNA P02545 3/20 0.54
GLA P06280 2/20 0.54
PKM P14618 1/20 0.54
HPGD P15428 2/20 0.52
HTT P42858 1/20 0.52
TP53 P04637 1/20 0.51
MAPT P10636 1/20 0.51
MEN1 O00255 1/20 0.50
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL7661299 0.96 SMN1; SMN2 (0.70) SMN1; SMN2L3MBTL1NPC1ATMKMT2A
SCHEMBL7870158 0.96 SMN1; SMN2 (0.64) SMN1; SMN2L3MBTL1NPC1ATMKMT2A
Hydrochloric Acid SCHEMBL7861852 0.95 SMN1; SMN2 (0.63) SMN1; SMN2L3MBTL1NPC1ATMKMT2A
SCHEMBL7668956 0.94 SMN1; SMN2 (0.70) SMN1; SMN2L3MBTL1NPC1ATMKMT2A
SCHEMBL7662844 0.94 SMN1; SMN2 (0.68) SMN1; SMN2L3MBTL1NPC1ATMKMT2A
SCHEMBL7668040 0.94 SMN1; SMN2 (0.68) SMN1; SMN2L3MBTL1NPC1ATMKMT2A
SCHEMBL7868492 0.93 SMN1; SMN2 (0.67) SMN1; SMN2L3MBTL1NPC1ATMKMT2A
SCHEMBL7658519 0.93 SMN1; SMN2 (0.72) SMN1; SMN2L3MBTL1NPC1ATMKMT2A
SCHEMBL7665740 0.80 SMN1; SMN2 (0.74) SMN1; SMN2L3MBTL1NPC1ATMKMT2A
SCHEMBL6770974 0.79 SMN1; SMN2 (0.72) SMN1; SMN2L3MBTL1NPC1ATMKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1069897-A1 METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 2001-01-24 EP disclosed
WO-1999051227-A1 METHODS FOR INHIBITING MRP1 ELI LILLY AND COMPANY (US) 1999-10-14 WO disclosed