SCHEMBL27508311

SCHEMBL27508311

[CH2]Cc1cccc(N(C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.48
PAX8 Q06710 1/20 0.43
F2RL3 Q96RI0 1/20 0.39
CREBBP Q92793 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC7A5 Q01650 1/20 0.36
GLS O94925 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SIGMAR1 Q99720 3/20 0.35
BACE1 P56817 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
KAT8 Q9H7Z6 1/20 0.34

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
SCHEMBL27542210 0.89 BRD4 (0.46) BRD4PAX8F2RL3CREBBPMEN1
SCHEMBL24449497 0.87 BRD4 (0.49) BRD4PAX8SIGMAR1
SCHEMBL18055477 0.87 BRD4 (0.49) BRD4PAX8F2RL3CREBBPMEN1
SCHEMBL14907964 0.86 BRD4 (0.48) BRD4PAX8F2RL3CREBBPMEN1
SCHEMBL15656810 0.83 ACHE (0.52) BRD4PAX8F2RL3CREBBPSLC7A5
SCHEMBL14907966 0.82 BRD4 (0.46) BRD4PAX8F2RL3CREBBP
SCHEMBL3297083 0.82 BRD4 (0.46) BRD4PAX8F2RL3CREBBPMEN1
SCHEMBL15725251 0.82 BRD4 (0.46) BRD4PAX8F2RL3CREBBPRAB9A
SCHEMBL25377809 0.81 BRD4 (0.47) BRD4PAX8MEN1RAB9AKMT2A
SCHEMBL27450194 0.81 BRD4 (0.51) BRD4PAX8F2RL3CREBBPMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1149191-C Azetidine derivatives, Preparation and medicines containing them ���ĵ�˹ҩ��ɷ����޹�˾ 2004-05-12 CN disclosed
CN-1316991-A Azetidine derivatives, preparation and medicines containing them AVENTIS PHARMA SA (FR) 2001-10-10 CN disclosed