SCHEMBL7260141

SCHEMBL7260141

CCOC(=O)[C@H](Cc1ccc(Nc2ncnc3cccc(C)c23)cc1)Nc1c(OC(C)C)c(=O)c1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.39
ELANE P08246 1/20 0.37
MAPT P10636 4/20 0.37
TP53 P04637 1/20 0.37
KDR P35968 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
ERBB2 P04626 8/20 0.35
EGFR P00533 5/20 0.35
KCNH2 Q12809 4/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 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
SCHEMBL7260150 1.00 RAB9A (0.39) RAB9AELANEMAPTTP53KDR
SCHEMBL7260147 0.80 RAB9A (0.36) RAB9AMAPTTP53KDRSMN1; SMN2
SCHEMBL7260154 0.80 RAB9A (0.35) RAB9AMAPTTP53KDRSMN1; SMN2
SCHEMBL6887783 0.79 ELANE (0.42) RAB9AELANEMAPTTP53NPC1
SCHEMBL7105524 0.79 ELANE (0.42) RAB9AELANEMAPTTP53KDR
SCHEMBL7105519 0.79 ELANE (0.42) RAB9AELANEMAPTTP53KDR
SCHEMBL7105190 0.78 RAB9A (0.47) RAB9AMAPTTP53KDRSMN1; SMN2
SCHEMBL7105195 0.78 RAB9A (0.47) RAB9AMAPTTP53KDRSMN1; SMN2
SCHEMBL7105523 0.77 EGFR (0.45) RAB9AKDREGFR
SCHEMBL7099265 0.77 ITGB1 (0.55)

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-6518283-B1 To modify integrin function in such a way as to beneficially modulate cell adhesion CELLTECH R&D LIMITED (GB) 2003-02-11 US disclosed