SCHEMBL4226508

SCHEMBL4226508

CCCCCCCCC1=Cc2cccc3cccc1c23

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.53
CNR1 P21554 3/20 0.49
KCNH2 Q12809 2/20 0.43
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
ALOX5 P09917 4/20 0.39
PTGS2 P35354 4/20 0.39
GLS2 Q9UI32 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
ACHE P22303 1/20 0.37
BACE1 P56817 1/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35
GPR84 Q9NQS5 1/20 0.35

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
SCHEMBL1024206 0.98 PTPN1 (0.50) PTPN1CNR1KCNH2MEN1MAPT
SCHEMBL27778148 0.93 PTPN1 (0.44) PTPN1CNR1KCNH2MEN1MAPT
SCHEMBL7195529 0.86 MAPK1 (0.44) PTPN1CNR1MEN1MAPTMAPK1
SCHEMBL10606408 0.81 PTPN1 (0.60) PTPN1CNR1KCNH2NR1H2NR1H3
SCHEMBL10604576 0.79 PTPN1 (0.57) PTPN1CNR1KCNH2ALOX5PTGS2
SCHEMBL4512216 0.79 MEN1 (0.47) MEN1MAPTMAPK1KMT2ATDP1
SCHEMBL21870646 0.75 MEN1 (0.53) PTPN1MEN1MAPTMAPK1KMT2A
SCHEMBL23698912 0.74 TDP1 (0.44) PTPN1CNR1MEN1MAPTMAPK1
SCHEMBL28308758 0.74 PTPN1 (0.60) PTPN1CNR1ALOX5PTGS2GLS2
SCHEMBL27716396 0.74 CNR1 (0.40) PTPN1CNR1KCNH2TDP1KDM4E

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-7888452-B2 Low band gap semiconducting polymers NDSU RESEARCH FOUNDATION (US) 2011-02-15 US disclosed
US-20090065059-A1 LOW BAND GAP SEMICONDUCTING POLYMERS NDSU RESEARCH FOUNDATION (US) 2009-03-12 US disclosed