SCHEMBL9769322

SCHEMBL9769322

O=C1c2ccc(Br)c(Br)c2C(=O)N1CCN1C(=O)c2ccc(Br)c(Br)c2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.42
CYP1B1 Q16678 6/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
PABPC1 P11940 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
TERT O14746 3/20 0.38
RGS12 O14924 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL3683888 0.76 S100A4 (0.31) CYP1B1
SCHEMBL6655099 0.74 ERCC1 (0.38) RAB9ACYP1B1KDM4EALDH1A1MEN1
Ethylene SCHEMBL19283170 0.73 ALDH1A1 (0.30) ALDH1A1POLBRXFP1
SCHEMBL9352144 0.72 CA12 (0.42) CYP1B1CA12CA1CA2CA4
SCHEMBL94242 0.69 CA9 (0.49) CA12CA1CA2CA4CA7
SCHEMBL29366486 0.69 CA9 (0.49) CA12CA1CA2CA4CA7
SCHEMBL15757744 0.68 CYP1B1 (0.46) RAB9ACYP1B1KDM4EALDH1A1MEN1
SCHEMBL10658959 0.68 CYP1B1 (0.53) RAB9ACYP1B1KDM4EALDH1A1MEN1
SCHEMBL11003139 0.68 CA1 (0.36) RAB9ACYP1B1CA12CA1CA2
SCHEMBL11000698 0.68 KDM4E (0.47) RAB9ACA12CA1CA2CA4

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
JP-3231946-A None JP disclosed
JP-H03231946-A FLAME RETARDANT POLYOLEFIN COMPOSITION CHISSO CORP 1991-10-15 JP disclosed