SCHEMBL8182256

SCHEMBL8182256

CCOC(=O)c1cnc(NCC(=O)C(C)(N)Cc2ccc(F)cc2)c(I)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.40
KMT2A Q03164 4/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
CASP3 P42574 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
PDE4B Q07343 1/20 0.37
GRM2 Q14416 1/20 0.37
MAOB P27338 3/20 0.36
PDPK1 O15530 1/20 0.36
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
ALPL P05186 1/20 0.35
GAA P10253 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
SCHEMBL8179692 0.84 MAPT (0.32) KMT2AMAPTGRM2MAOBALDH1A1
SCHEMBL8182974 0.81 P2RY12 (0.50) P2RY12KMT2AMAPTMEN1CASP3
SCHEMBL8185683 0.79 KMT2A (0.48) P2RY12KMT2AMAPTMEN1CASP3
SCHEMBL8190118 0.77 HDAC1 (0.40) SMN1; SMN2
SCHEMBL8184534 0.76 ALDH1A1 (0.38) P2RY12KMT2AMAPTMEN1ALDH1A1
SCHEMBL8179579 0.75 CHRNA7 (0.46) P2RY12KMT2AMAPTMEN1CASP3
SCHEMBL8173673 0.75 CYP2C9 (0.39) KMT2AMAPTMEN1MAOBALDH1A1
SCHEMBL8184805 0.72 SYK (0.36) P2RY12MAOBPDPK1ALDH1A1SMN1; SMN2
SCHEMBL13428802 0.69 P2RY12 (0.59) P2RY12MAPTALDH1A1KDM4EPOLB
SCHEMBL8187389 0.69 ALDH1A1 (0.52) P2RY12KMT2AMAPTMEN1MAOB

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-2008075757-A1 N-HYDROXYACRYLAMIDE COMPOUNDS ASTELLAS PHARMA INC. (JP) 2008-06-26 WO disclosed