SCHEMBL27512972

SCHEMBL27512972

O=C1CC(Br)C(=O)N1.O=C1CC(Br)C(=O)N1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 1/20 0.50
CRBN Q96SW2 2/20 0.42
CYP19A1 P11511 1/20 0.38
IDO1 P14902 8/20 0.33
GLA P06280 1/20 0.33
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
MEN1 O00255 1/20 0.32
APEX1 P27695 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.31
CREBBP Q92793 2/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL9256 1.00
Ammonia Solution, Strong SCHEMBL23360905 0.97
SCHEMBL1398156 0.87 GSK3A (0.46) MAP3K14CRBNCYP19A1IDO1GLA
SCHEMBL19370773 0.74
SCHEMBL3578552 0.74
SCHEMBL2174994 0.71
SCHEMBL5909391 0.71 MAP3K14 (0.55) MAP3K14CRBNCYP19A1IDO1LMNA
SCHEMBL6897659 0.69
SCHEMBL10573688 0.69
SCHEMBL17114323 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103435439-A Preparation method of bromomethyl cyclobutane HONGSHENG SCI TECH DEV CO LTD 2013-12-11 CN disclosed
CN-1268593-C Method for isomerizating 1,4-dichloro-2-butylenes from syn form to anti form UNIV ZHEJIANG (CN) 2006-08-09 CN disclosed
CN-1660729-A Method for isomerizating 1,4-dichloro-2-butylenes from syn form to anti form UNIV ZHEJIANG (CN) 2005-08-31 CN disclosed