SCHEMBL17620403

SCHEMBL17620403

O=C1c2cccc3c(N4CCSCC4)ccc(c23)C(=O)N1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 9/20 0.53
BCL2 P10415 8/20 0.53
BID P55957 1/20 0.53
BCL2L1 Q07817 4/20 0.45
MEN1 O00255 9/20 0.44
KMT2A Q03164 9/20 0.44
MAPT P10636 4/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
HTT P42858 3/20 0.44
TLR9 Q9NR96 2/20 0.44
RAB9A P51151 2/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
AVPR1A P37288 1/20 0.42
POLB P06746 2/20 0.42
USP2 O75604 2/20 0.42
LMNA P02545 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL17613112 0.91 MEN1 (0.53) MCL1BCL2BIDMEN1KMT2A
SCHEMBL17599282 0.90 MEN1 (0.55) MCL1BCL2BIDMEN1KMT2A
SCHEMBL17620396 0.87 BRD1 (0.50) MEN1KMT2AMAPTL3MBTL1HTT
SCHEMBL17620399 0.87 MEN1 (0.44) MCL1BCL2BIDMEN1KMT2A
SCHEMBL17620402 0.87 MEN1 (0.53) MEN1KMT2AMAPTL3MBTL1HTT
SCHEMBL17613110 0.81 KMT2A (0.43) MEN1KMT2AMAPTL3MBTL1HTT
SCHEMBL17613111 0.79 KMT2A (0.42) MEN1KMT2AMAPTL3MBTL1HTT
SCHEMBL30064838 0.77 KMT2A (0.47) MEN1KMT2AMAPTL3MBTL1HTT
SCHEMBL22228999 0.77 KMT2A (0.47) MEN1KMT2AMAPTL3MBTL1HTT
SCHEMBL17620395 0.75 MEN1 (0.54) MCL1BCL2BIDMEN1KMT2A

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
EP-3182203-A1 A COMBINATION OF NIT DERIVATIVES WITH SENSITIZERS Heraeus Precious Metals North America Daychem LLC (US) 2017-06-21 EP disclosed
WO-2016043558-A1 PHOTO-ACID GENERATING AGENT HERAEUS MATERIALS KOREA CORPORATION (KR) 2016-03-24 WO disclosed