SCHEMBL8056262

SCHEMBL8056262

O=[N+]([O-])c1c(Br)[c]ccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MGMT P16455 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
HPD P32754 2/20 0.43
CYP19A1 P11511 6/20 0.42
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PPIA P62937 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 1/20 0.39
PIN1 Q13526 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
SCHEMBL7615166 0.83 MEN1 (0.44) MGMTMEN1KMT2AMAPTHPD
SCHEMBL15013285 0.79 MAPT (0.55) MGMTMEN1KMT2AMAPTHPD
SCHEMBL28231949 0.78 HPD (0.51) MGMTMEN1KMT2AMAPTHPD
SCHEMBL27750368 0.76 RAB9A (0.45) MGMTMEN1KMT2AMAPTHPD
SCHEMBL3614237 0.75 MAPT (0.49) MGMTMEN1KMT2AMAPTHPD
SCHEMBL30318890 0.75 MAPT (0.46) MGMTMEN1KMT2AMAPTHPD
SCHEMBL21487362 0.75 MAPT (0.46) MGMTMEN1KMT2AMAPTHPD
SCHEMBL31285352 0.75 MAPT (0.46) MGMTMEN1KMT2AMAPTHPD
SCHEMBL27617230 0.75 MAPT (0.42) MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL34476061 0.74 CYP19A1 (0.46) MGMTMEN1KMT2AMAPTHPD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112745234-A Method for preparing bimanual center medicament by using monocyclic unsaturated compound with hydroxyl connected to non-cyclic atom 河北化工医药职业技术学院 2021-05-04 CN claimed
CN-112745234-A Method for preparing bimanual center medicament by using monocyclic unsaturated compound with hydroxyl connected to non-cyclic atom 河北化工医药职业技术学院 2021-05-04 CN disclosed
CN-1228448-C Process for preparing chiral medicine intermediate (R)-2-halogen-1-(substituted phenyl) ethanol TIANJIN NANKAI GUARD CO LTD (CN) 2005-11-23 CN disclosed
CN-1554767-A Process for preparing chiral medicine intermediate (R)-2-halogen-1-(substituted phenyl) ethanol 天津南开戈德集团有限公司 2004-12-15 CN disclosed
CN-1083831-C Novel tricyclic compounds and pharmaceutical compositions containing them ASAHI CHEMICAL IND (JP) 2002-05-01 CN disclosed
CN-1295064-A Novel tricyclic compounds and pharmaceutical compositions containing them ASAHI CHEMICAL IND (JP) 2001-05-16 CN disclosed
CN-1265651-A Novel tricyclic compound having saturated ring and pharmaceutical composition thereof ASAHI CHEMICAL IND (JP) 2000-09-06 CN disclosed
EP-0997458-A1 NOVEL TRICYCLIC COMPOUNDS HAVING SATURATED RINGS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 2000-05-03 EP disclosed
CN-1209119-A Novel tricyclic compounds and pharmaceutical compositions containing them ASAHI CHEMICAL IND (JP) 1999-02-24 CN disclosed