SCHEMBL4647358

SCHEMBL4647358

Nc1ccc(Cl)cc1CC=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.46
TSHR P16473 3/20 0.46
ALOX15 P16050 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 1/20 0.40
IDO1 P14902 2/20 0.39
HPGD P15428 2/20 0.38
ALOX12 P18054 2/20 0.38
ATP4A P20648 2/20 0.38
ATP4B P51164 2/20 0.38
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SLC22A1 O15245 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
HSP90AA1 P07900 1/20 0.36

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
SCHEMBL588062 0.86 CYP3A4 (0.48) CYP3A4TSHRALOX15SMN1; SMN2ALDH1A1
SCHEMBL7488286 0.81 TAAR1 (0.47)
SCHEMBL4589688 0.81 IDO1 (0.40) CYP3A4TSHRALOX15SMN1; SMN2TDP1
SCHEMBL21546530 0.80 PTGDR (0.47) CYP3A4TSHRALOX15SMN1; SMN2ALDH1A1
SCHEMBL3507727 0.79 TDP1 (0.43) CYP3A4TSHRALOX15SMN1; SMN2ALDH1A1
SCHEMBL29954411 0.78 PSEN1 (0.39) CYP3A4ALOX15SMN1; SMN2ALDH1A1TDP1
SCHEMBL15322058 0.77 CYP3A4 (0.43) CYP3A4TSHRALOX15SMN1; SMN2ALDH1A1
SCHEMBL775187 0.77 CYP3A4 (0.52) CYP3A4TSHRALOX15SMN1; SMN2ALDH1A1
SCHEMBL3786384 0.77 CYP3A4 (0.52) CYP3A4TSHRALOX15SMN1; SMN2ALDH1A1
SCHEMBL5747336 0.76 NOS3 (0.39) CYP3A4TSHRALOX15SMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4482831-A1 NOVEL BICYCLIC COMPOUNDS AS RAD51 INHIBITORS Satya Therapeutics, Inc. (US) 2025-01-01 EP disclosed
EP-4423081-A2 PAPD5 INHIBITORS AND METHODS OF USE THEREOF The Children's Medical Center Corporation (US) 2024-09-04 EP disclosed
WO-2023161782-A1 NOVEL BICYCLIC COMPOUNDS AS RAD51 INHIBITORS SATYARX PHARMA INNOVATIONS PVT LTD (IN) 2023-08-31 WO disclosed
WO-2023086220-A2 PAPD5 INHIBITORS AND METHODS OF USE THEREOF THE CHILDREN'S MEDICAL CENTER CORPORATION (US) 2023-05-19 WO disclosed
EP-1799636-B1 CONTROL OF PARASITES IN ANIMALS BY THE USE OF NOVEL TRIFLUOROMETHANESULFONANILIDE OXIME ETHER DERIVATIVES SCHERING PLOUGH LTD (CH) 2008-08-27 EP disclosed