SCHEMBL9849997

SCHEMBL9849997

O=C(Oc1ccccc1)C(Br)CBr

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ELANE P08246 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP19A1 P11511 1/20 0.39
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
KDM4E B2RXH2 1/20 0.37
NSD2 O96028 1/20 0.37
SLC1A3 P43003 1/20 0.37
CES2 O00748 1/20 0.36

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
SCHEMBL7062133 0.85 ATM (0.44) ATML3MBTL1ELANEALDH1A1TDP1
SCHEMBL262972 0.83 ATM (0.49) ATML3MBTL1ELANEALDH1A1TSHR
SCHEMBL7971360 0.82 ATM (0.41) ATML3MBTL1ELANETDP1ALOX15
SCHEMBL7970865 0.81 ELANE (0.41) ATML3MBTL1ELANEALDH1A1TDP1
SCHEMBL11023385 0.79 ATM (0.52) ATML3MBTL1ELANEALDH1A1TDP1
SCHEMBL28473825 0.79 ELANE (0.49) ATML3MBTL1ELANEALDH1A1TDP1
SCHEMBL9745779 0.79 ELANE (0.41) ATML3MBTL1ELANEALDH1A1TSHR
SCHEMBL27527798 0.78 ZDHHC7 (0.47) ATML3MBTL1ALDH1A1TDP1
SCHEMBL10939192 0.78 TDP1 (0.48) L3MBTL1ALDH1A1TSHRTDP1HPGD
SCHEMBL27382511 0.77 RECQL (0.49) ATML3MBTL1ELANEALDH1A1HPGD

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-114805044-A Novel method for synthesizing dibromo compound 兰州大学 2022-07-29 CN disclosed
EP-0458325-A1 Negative photosensitive composition and method for forming a resist pattern Mitsubishi Chemical Corporation (JP) 1991-11-27 EP disclosed