SCHEMBL19619019

SCHEMBL19619019

C=C(C)C(=O)OCCNCC(=O)Nc1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.45
KMT2A Q03164 3/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 2/20 0.45
PAX8 Q06710 1/20 0.43
KCNA5 P22460 2/20 0.43
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
ATM Q13315 1/20 0.41
POLB P06746 3/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
IL18 Q14116 1/20 0.40
ACHE P22303 1/20 0.39
RORC P51449 1/20 0.39

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
SCHEMBL12956396 0.83 CNR1 (0.51) KMT2AMAPTALDH1A1MEN1KDM4E
SCHEMBL29316168 0.82 MMP3 (0.48) GAAKMT2AMAPTMEN1PAX8
SCHEMBL11886544 0.81 LMNA (0.44) GAAKMT2AMAPTALDH1A1MEN1
SCHEMBL29322120 0.80 MMP3 (0.47) GAAKMT2APAX8TDP1ATM
SCHEMBL29316174 0.79 MMP3 (0.52) GAAKMT2APAX8TDP1ATM
SCHEMBL29316177 0.78 HDAC1 (0.53) GAAKMT2APAX8TDP1POLB
SCHEMBL29322132 0.78 HDAC1 (0.53) GAAKMT2APAX8TDP1POLB
SCHEMBL9908140 0.77 MAPT (0.41) GAAKMT2AMAPTALDH1A1MEN1
SCHEMBL5329961 0.74 SCN8A (0.42) MAPTALDH1A1KDM4ETDP1POLB
SCHEMBL29316162 0.72 TRPA1 (0.52) KMT2AMAPTALDH1A1MEN1TDP1

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-9822206-B2 Copolymers for near-infrared radiation-sensitive coating compositions for positive-working thermal lithographic printing plates MYLAN GROUP (VN) 2017-11-21 US disclosed