SCHEMBL9733913

SCHEMBL9733913

CC1(C)C=C(n2ccccc2=O)c2cc(Br)ccc2C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE4B Q07343 1/20 0.36
HRH4 Q9H3N8 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
BRD4 O60885 1/20 0.33
PTPRC P08575 1/20 0.32
PARP1 P09874 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
TDP2 O95551 1/20 0.31
PARP10 Q53GL7 1/20 0.31
AVPR1A P37288 1/20 0.31
F10 P00742 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL9733018 0.85 HRH4 (0.34) L3MBTL1HRH4PARP1PARP10AVPR1A
SCHEMBL9733434 0.85 SLC6A2 (0.39) HRH4MEN1KMT2AF10SLC6A2
SCHEMBL9733727 0.85 PDE4B (0.36) TDP1L3MBTL1PDE4B
SCHEMBL9734559 0.84 RXFP1 (0.39) L3MBTL1HRH4MEN1KMT2AMAPT
SCHEMBL9733614 0.83 ALDH1A1 (0.35) HRH4
SCHEMBL10433117 0.83 ESR1 (0.34) TDP1L3MBTL1PDE4BMEN1KMT2A
SCHEMBL9733797 0.82 MEN1 (0.40) TDP1MEN1KMT2APTPRCPARP1
SCHEMBL9733284 0.82 HTR1A (0.37) KMT2ABACE1
SCHEMBL9734695 0.82 KMT2A (0.40) TDP1L3MBTL1MEN1KMT2APTPRC
SCHEMBL9733318 0.82 S100A4 (0.38) L3MBTL1HRH4MAPTRAB9ATDP2

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
US-5132307-A TETRALIN COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-21 US disclosed
EP-0368160-A1 Tetralin derivatives MERCK PATENT GmbH (DE) 1990-05-16 EP disclosed