SCHEMBL7978396

SCHEMBL7978396

CC(C)(C)[Si](C)(C)OCC(CCc1cccnc1)COc1ccc(B(O)O)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.34
GPR88 Q9GZN0 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL7978399 1.00 MEN1 (0.36) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL7766502 0.86 MEN1 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL7771572 0.86 MEN1 (0.37) MEN1KMT2AALDH1A1SMN1; SMN2MAPK1
SCHEMBL7834746 0.78 MEN1 (0.46) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL7821824 0.78 MEN1 (0.46) MEN1KMT2AALDH1A1MAPK1NPC1
SCHEMBL7822919 0.76 POLB (0.36) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL7836651 0.76 POLB (0.36) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL7822922 0.76 POLB (0.36) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL7979984 0.76 POLB (0.36) SMN1; SMN2NPC1RAB9ALMNAPOLB
SCHEMBL8477162 0.76 CHRNA7 (0.40) MEN1KMT2ANPC1RAB9AKDM4E

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-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed