SCHEMBL28295411

SCHEMBL28295411

CCCC(N)OC(=O)c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
NPC1 O15118 5/20 0.45
PKM P14618 4/20 0.45
RAB9A P51151 4/20 0.45
PAX8 Q06710 2/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
MITF O75030 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NR2F2 P24468 1/20 0.44
KLF5 Q13887 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
LMNA P02545 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
GSK3B P49841 1/20 0.41

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
SCHEMBL27684673 0.82 ALDH1A1 (0.49) KMT2ANPC1PKMRAB9APAX8
SCHEMBL28543111 0.79 KMT2A (0.47) KMT2ANPC1PKMRAB9APAX8
SCHEMBL3919092 0.78 KMT2A (0.43) KMT2ANPC1PKMRAB9APAX8
SCHEMBL27534559 0.77 SMN1; SMN2 (0.46) KMT2ANPC1PKMRAB9APAX8
SCHEMBL27913897 0.77 KMT2A (0.53) KMT2ANPC1PKMRAB9APAX8
SCHEMBL3908853 0.77 PKM (0.43) KMT2ANPC1PKMRAB9APAX8
SCHEMBL29174426 0.77 KMT2A (0.43) KMT2ANPC1PKMRAB9APAX8
SCHEMBL28770588 0.76 KDM4E (0.47) KMT2ANPC1PKMRAB9APAX8
SCHEMBL30731163 0.76 KMT2A (0.58) KMT2ANPC1PKMRAB9AKDM4E
SCHEMBL9944382 0.76 KMT2A (0.58) KMT2ANPC1PKMRAB9AKDM4E

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
CN-104045552-B Medicinal compound as neuroprotective agent 江苏先声药业有限公司 2019-06-11 CN disclosed