SCHEMBL6351579

SCHEMBL6351579

C=C(CC(c1ccccc1)(c1ccccc1)c1ccccn1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BLM P54132 2/20 0.40
CYP2D6 P10635 1/20 0.40
SLC22A2 O15244 1/20 0.40
SLC22A1 O15245 1/20 0.40
PGR P06401 1/20 0.40
THRB P10828 1/20 0.40
ADRB3 P13945 1/20 0.40
OPRK1 P41145 1/20 0.40
PMP22 Q01453 1/20 0.40
KCNH2 Q12809 1/20 0.40
PDE3A Q14432 1/20 0.40
SLC47A1 Q96FL8 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL11124539 0.82 CYP2C19 (0.44) KMT2ATSHRLMNAALDH1A1CYP2C19
SCHEMBL6695096 0.75 SMN1; SMN2 (0.45) L3MBTL1SMN1; SMN2MEN1KMT2ABLM
SCHEMBL6570465 0.73 MEN1 (0.52) L3MBTL1SMN1; SMN2MEN1KMT2ABLM
SCHEMBL9799303 0.68 CYP2C19 (0.50) L3MBTL1SMN1; SMN2KMT2AOPRK1CYP3A4
SCHEMBL28522840 0.68 SMN1; SMN2 (0.46) L3MBTL1SMN1; SMN2MEN1KMT2ABLM
SCHEMBL8357937 0.68 KIF11 (0.44) L3MBTL1SMN1; SMN2MEN1KMT2ABLM
SCHEMBL29410666 0.67 L3MBTL1 (0.78) L3MBTL1SMN1; SMN2MEN1KMT2ABLM
SCHEMBL912495 0.67 L3MBTL1 (0.78) L3MBTL1SMN1; SMN2MEN1KMT2ABLM
SCHEMBL30601200 0.67 MEN1 (0.49) L3MBTL1SMN1; SMN2MEN1KMT2ABLM
SCHEMBL1839761 0.66 L3MBTL1 (0.52) L3MBTL1SMN1; SMN2KMT2ABLMCYP2D6

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-6878801-B2 Optically active polythiophenes JAPAN SCIENCE AND TECHNOLOGY (JP) 2005-04-12 US disclosed
US-20030135021-A1 Optically active polythiophenes FUJIKI MICHIYA (JP) 2003-07-17 US disclosed