SCHEMBL7702285

SCHEMBL7702285

CNCCCCCCOc1ccc2cc(Br)ccc2c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
HTR1B P28222 1/20 0.45
HDAC1 Q13547 1/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A4 P31645 2/20 0.41
POLB P06746 1/20 0.41
PPARG P37231 1/20 0.40
SLC6A2 P23975 1/20 0.40
L3MBTL4 Q8NA19 1/20 0.40
L3MBTL3 Q96JM7 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL7696748 1.00 L3MBTL1 (0.51) L3MBTL1HTR1BHDAC1KDM4EALDH1A1
SCHEMBL7693885 1.00 L3MBTL1 (0.51) L3MBTL1HTR1BHDAC1KDM4EALDH1A1
SCHEMBL7692562 1.00 L3MBTL1 (0.51) L3MBTL1HTR1BHDAC1KDM4EALDH1A1
SCHEMBL7703489 0.85 DRD4 (0.47) L3MBTL1HDAC1KDM4EALDH1A1DRD2
SCHEMBL7689608 0.84 L3MBTL1 (0.59) L3MBTL1HTR1BHDAC1KDM4EDRD3
SCHEMBL7694047 0.84 KDM4E (0.61) HDAC1KDM4EALDH1A1
SCHEMBL4745433 0.82 NR5A1 (0.51)
SCHEMBL4749149 0.82 NR5A1 (0.51)
SCHEMBL7210942 0.82 NR5A1 (0.51)
SCHEMBL4748690 0.82 NR5A1 (0.51)

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-2002024619-A1 AMINE COMPOUNDS BTG INTERNATIONAL LIMITED (GB) 2002-03-28 WO disclosed