SCHEMBL30935181

SCHEMBL30935181

O=C1NCC(C(F)(F)F)Oc2cc(Br)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 4/20 0.43
PARP11 Q9NR21 2/20 0.43
PARP1 P09874 2/20 0.40
PBRM1 Q86U86 1/20 0.35
TDP2 O95551 1/20 0.34
P2RY6 Q15077 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
RAB9A P51151 1/20 0.33
ADRA2A P08913 1/20 0.33
PNMT P11086 1/20 0.33
S100A4 P26447 1/20 0.32
TGM2 P21980 1/20 0.30
CES1 P23141 1/20 0.30
CDC7 O00311 1/20 0.30

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
SCHEMBL30935097 0.80 ABL1 (0.37) PARP10PARP1KDM4EALDH1A1RAB9A
SCHEMBL23160392 0.78 PBRM1 (0.50) PARP10PARP11PARP1PBRM1TDP2
SCHEMBL29134751 0.78 PBRM1 (0.50) PARP10PARP11PARP1PBRM1TDP2
SCHEMBL24697374 0.78 PBRM1 (0.50) PARP10PARP11PARP1PBRM1TDP2
SCHEMBL30017233 0.78 PBRM1 (0.50) PARP10PARP11PARP1PBRM1TDP2
SCHEMBL30016461 0.78 PBRM1 (0.50) PARP10PARP11PARP1PBRM1TDP2
SCHEMBL30015575 0.78 PARP10 (0.40) PARP10PARP11PARP1PBRM1TDP2
SCHEMBL30015757 0.78 PARP10 (0.40) PARP10PARP11PARP1PBRM1TDP2
SCHEMBL24699253 0.75 PARP10 (0.40) PARP10PARP11PARP1PBRM1TDP2
SCHEMBL29134743 0.75 PARP10 (0.40) PARP10PARP11PARP1PBRM1TDP2

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-2024125464-A1 TETRAHYDROISOQUINOLIN-ONE DERIVATIVES, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2024-06-20 WO disclosed