SCHEMBL29951071

SCHEMBL29951071

O=CC1=C(Cl)c2cc(Br)ccc2CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 3/20 0.46
PARP1 P09874 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TDP2 O95551 2/20 0.39
TYMS P04818 2/20 0.37
PARP11 Q9NR21 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
SRD5A1 P18405 1/20 0.35
SRD5A2 P31213 1/20 0.35
METAP1 P53582 1/20 0.33
S100A4 P26447 1/20 0.33
ERN1 O75460 1/20 0.33
ESR1 P03372 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
PBRM1 Q86U86 1/20 0.33

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
SCHEMBL3666301 0.90 PARP10 (0.44) PARP10PARP1TDP1L3MBTL1TDP2
SCHEMBL15173274 0.87 SRD5A1 (0.45) PARP10PARP1TDP1L3MBTL1TDP2
SCHEMBL30856147 0.83 TDP1 (0.49) PARP10PARP1TDP1L3MBTL1TDP2
SCHEMBL10531263 0.80 PARP1 (0.46) PARP10PARP1TDP1L3MBTL1TDP2
SCHEMBL29953520 0.76 MAOA (0.47) MAOAMAOBMETAP1
SCHEMBL6832547 0.76 MAOA (0.47) MAOAMAOBMETAP1
SCHEMBL29952458 0.75 ESR1 (0.54) PARP10PARP1TDP1L3MBTL1PARP11
SCHEMBL2063760 0.75 ESR1 (0.54) PARP10PARP1TDP1L3MBTL1PARP11
SCHEMBL988678 0.75 LMNA (0.39) MAOBERN1PBRM1
SCHEMBL449192 0.75 MAOB (0.46) MAOAMAOBPBRM1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed