SCHEMBL21340344

SCHEMBL21340344

C=C(c1nc(C)c(C)c(C)c1N)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL12257175 0.69 TDP1 (0.39) KDM4EALDH1A1RAB9ACACNA1BAPBA1
SCHEMBL1251696 0.66 IDO1 (0.39) KDM4EALDH1A1RAB9ACACNA1BAPBA1
SCHEMBL2282509 0.63 IDO1 (0.34) KDM4EALDH1A1RAB9ACACNA1BAPBA1
SCHEMBL2284408 0.62 LMNA (0.46) KDM4EALDH1A1
SCHEMBL9738439 0.61 JAK3 (0.31)
SCHEMBL25637787 0.61 KDM4E (0.32) KDM4EALDH1A1
SCHEMBL12257178 0.61 TDP1 (0.39) KDM4EALDH1A1KMT2A
SCHEMBL12347478 0.60
SCHEMBL11630670 0.60 LMNA (0.41) KDM4EALDH1A1RAB9ACACNA1BAPBA1
SCHEMBL12257176 0.58 TDP1 (0.41) KDM4EALDH1A1RAB9ACACNA1BAPBA1

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-2019173653-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2019-09-12 WO disclosed