SCHEMBL9998265

SCHEMBL9998265

[Sn]C(=C(c1ccccc1)c1ccccc1-c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.47
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNB2 P17787 4/20 0.42
CHRNB4 P30926 4/20 0.42
CHRNA3 P32297 4/20 0.42
CHRNA4 P43681 4/20 0.42
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
BCL2L1 Q07817 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HNF4A P41235 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
BACE1 P56817 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL5572153 0.83 BCAT2 (0.54) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
Biphenyl SCHEMBL29199166 0.81 BCAT2 (0.52) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
Fluoride SCHEMBL29086928 0.79 BCAT2 (0.50) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL28018113 0.76 BCAT2 (0.57) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL5008845 0.74 BCAT2 (0.54) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL4870791 0.74 BCAT2 (0.54) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL27458868 0.73 MEN1 (0.44) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL11677056 0.73 BCAT2 (0.44) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2
SCHEMBL27838245 0.72 ABL1 (0.48) BCAT2MEN1KMT2AALDH1A1HPGD
SCHEMBL11848106 0.72 BCAT2 (0.61) BCAT2MEN1KMT2ASMN1; SMN2CHRNB2

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
US-8698086-B2 High effective atomic number polymer scintillators for gamma ray spectroscopy LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2014-04-15 US disclosed
US-20110315885-A1 HIGH EFFECTIVE ATOMIC NUMBER POLYMER SCINTILLATORS FOR GAMMA RAY SPECTROSCOPY LAWRENCE LIVERMORE NATIONAL SECURITY, LLC (US) 2011-12-29 US disclosed