SCHEMBL29657656

SCHEMBL29657656

[Sn].c1cc2ccc3sccc3c2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.36
RIPK1 Q13546 1/20 0.36
PIM3 Q86V86 1/20 0.36
AHR P35869 1/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
KDM4E B2RXH2 2/20 0.32
CYP2A6 P11509 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
CCNE2 O96020 1/20 0.31

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
SCHEMBL17897161 0.98 TNF (0.37) TNFRIPK1PIM3AHRMAPT
SCHEMBL18897739 0.74 ADRA2A (0.48) AHRMAPTALDH1A1MEN1NPC1
SCHEMBL30804604 0.70 CA12 (0.41) MAPTALDH1A1MEN1MAPK1KMT2A
SCHEMBL4424091 0.70 DYRK1A (0.31) KDM4ECYP2A6
SCHEMBL4418496 0.70 TYR (0.32) ADRA2AADRA2BKDM4ECYP2A6GAA
SCHEMBL4419238 0.69 TNF (0.39) TNFRIPK1PIM3AHRMAPT
SCHEMBL29352476 0.68 KDM4E (0.45) MAPTALDH1A1HPGDADRA2AADRA2B
SCHEMBL1374474 0.68 TNF (0.54) TNFRIPK1PIM3AHRMEN1
SCHEMBL29591462 0.68 TNF (0.54) TNFRIPK1PIM3AHRMEN1
SCHEMBL2498909 0.68 KDM4E (0.45) MAPTALDH1A1HPGDADRA2AADRA2B

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-4271677-A1 COMPOUND FOR AN OPTOELECTRONIC COMPONENT AND OPTOELECTRONIC COMPONENT CONTAINING THE COMPOUND Heliatek GmbH (DE) 2023-11-08 EP disclosed
WO-2022144423-A1 COMPOUND FOR AN OPTOELECTRONIC COMPONENT AND OPTOELECTRONIC COMPONENT CONTAINING THE COMPOUND HELIATEK GMBH (DE) 2022-07-07 WO disclosed