SCHEMBL30067006

SCHEMBL30067006

COc1ccc2cc(Br)ccc2c1C=O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.59
POLB P06746 1/20 0.50
RXFP1 Q9HBX9 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
NCEH1 Q6PIU2 2/20 0.44
MAPT P10636 3/20 0.43
PRKDC P78527 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL3008338 1.00 ERN1 (0.59) ERN1POLBRXFP1L3MBTL1KDM4E
SCHEMBL5755021 0.93 ERN1 (0.52) ERN1POLBRXFP1L3MBTL1KDM4E
SCHEMBL5755025 0.93 ERN1 (0.52) ERN1POLBRXFP1L3MBTL1KDM4E
SCHEMBL5755022 0.90 ERN1 (0.54) ERN1POLBRXFP1L3MBTL1KDM4E
SCHEMBL6952319 0.89 ERN1 (0.49) ERN1POLBRXFP1L3MBTL1KDM4E
SCHEMBL15414637 0.89 ERN1 (0.46) ERN1POLBRXFP1L3MBTL1KDM4E
SCHEMBL5752881 0.84 RXFP1 (0.50) ERN1POLBRXFP1L3MBTL1KDM4E
SCHEMBL30066982 0.82 MTNR1A (0.51) ERN1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL14047249 0.82 ACHE (0.46) ERN1L3MBTL1KDM4ELMNAMAPT
SCHEMBL10388887 0.82 MTNR1A (0.51) ERN1MAPTCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022233824-A1 NAPHTHALENE DERIVATIVES USEFUL IN THE TREATMENT OF CANCER INSTITUT CURIE (FR) 2022-11-10 WO disclosed