SCHEMBL28343302

SCHEMBL28343302

O=C(Oc1ccc([C](c2ccccc2)c2ccccc2)cc1)c1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.62
KMT2A Q03164 9/20 0.55
MEN1 O00255 3/20 0.55
MAPT P10636 4/20 0.54
ALDH1A1 P00352 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PKM P14618 1/20 0.54
RAB9A P51151 3/20 0.53
NPC1 O15118 2/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
TMPRSS15 P98073 1/20 0.47
ELANE P08246 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL6060174 0.93 PARP10 (0.65) PARP10KMT2AMEN1MAPTALDH1A1
SCHEMBL5578147 0.91 PARP10 (0.72) PARP10KMT2AMEN1MAPTALDH1A1
SCHEMBL382507 0.91 PARP10 (0.72) PARP10KMT2AMEN1MAPTALDH1A1
SCHEMBL105134 0.89 PARP10 (0.59) PARP10KMT2AMEN1MAPTALDH1A1
SCHEMBL9663679 0.85 PARP10 (0.81) PARP10KMT2AMEN1MAPTALDH1A1
SCHEMBL6196601 0.84 PARP10 (0.54) PARP10KMT2AMEN1MAPTALDH1A1
SCHEMBL8205435 0.83 PARP10 (0.78) PARP10KMT2AMEN1MAPTALDH1A1
SCHEMBL725405 0.83 PARP10 (0.77) PARP10KMT2AMEN1MAPTALDH1A1
Hydrochloric Acid SCHEMBL16050040 0.81 PARP10 (0.74) PARP10KMT2AMEN1MAPTALDH1A1
SCHEMBL533394 0.80 HSD17B10 (0.50) PARP10KMT2AMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN claimed
CN-114751920-B Antitumor compounds 法马马有限公司 2024-06-07 CN disclosed
CN-114736219-B Antitumor compounds 法马马有限公司 2024-06-07 CN disclosed
CN-114736219-A Antitumor compounds 法马马有限公司 2022-07-12 CN disclosed
CN-110669058-A Tricyclic quinolone carboxylic acid and preparation method thereof 江西农业大学 2020-01-10 CN disclosed
CN-110621678-A Antitumor compounds 法马马有限公司 2019-12-27 CN disclosed