SCHEMBL9345121

SCHEMBL9345121

Cc1nc2ncn(CCc3ccccc3)c(O)c-2c1OC(=O)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNOT7 Q9UIV1 4/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.34
P2RX3 P56373 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PKM P14618 1/20 0.33
CASR P41180 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
DAO P14920 1/20 0.33
ELANE P08246 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
SCHEMBL9048520 0.92 MAPT (0.32) HTTKMT2ALMNAPKML3MBTL1
SCHEMBL9046199 0.90 ELANE (0.36) HTTALDH1A1KMT2AKDM4EMEN1
SCHEMBL9045154 0.90 MAPT (0.33) HTTALDH1A1KMT2ALMNAL3MBTL1
SCHEMBL9341477 0.88 YTHDC1 (0.38) ALDH1A1LMNA
SCHEMBL9776194 0.84 NPC1 (0.38) CNOT7HTTALDH1A1KMT2AP2RX3
SCHEMBL9776204 0.82 MEN1 (0.42) HTTKMT2ALMNACASRKDM4E
SCHEMBL9045926 0.77 YTHDC1 (0.45) ALDH1A1LMNA
SCHEMBL9776056 0.76 NPC1 (0.31) ALDH1A1KMT2APKMKDM4E
SCHEMBL9045074 0.76 ELANE (0.33) ALDH1A1ELANE
SCHEMBL9046159 0.76 ELANE (0.33) ELANE

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-5344932-A N-(pyrrolo(2,3-d)pyrimidin-3-ylacyl)-glutamic acid derivatives TRUSTEES OF PRINCETON UNIVERSITY (US) 1994-09-06 US disclosed