SCHEMBL11798255

SCHEMBL11798255

CCCCCCCCCCCCCCCCCCCCc1ccnc(-c2cc(CCCCCCCCCCCCCCCCCCCC)ccn2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PTGS2 P35354 3/20 0.46
ESR1 P03372 2/20 0.46
ADRA2A P08913 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
TACR2 P21452 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
LMNA P02545 1/20 0.46
SHBG P04278 1/20 0.46
TP53 P04637 1/20 0.46
CYP3A4 P08684 1/20 0.46
HSPD1 P10809 1/20 0.46
ADRB3 P13945 1/20 0.46
HTR2C P28335 1/20 0.46

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
SCHEMBL913268 1.00 TDP1 (0.46) TDP1L3MBTL1PTGS2ESR1ADRA2A
SCHEMBL31004368 1.00 TDP1 (0.46) TDP1L3MBTL1PTGS2ESR1ADRA2A
SCHEMBL4863242 1.00 TDP1 (0.46) TDP1L3MBTL1PTGS2ESR1ADRA2A
SCHEMBL529596 1.00 TDP1 (0.46) TDP1L3MBTL1PTGS2ESR1ADRA2A
SCHEMBL913250 1.00 TDP1 (0.46) TDP1L3MBTL1PTGS2ESR1ADRA2A
SCHEMBL1446914 1.00 TDP1 (0.46) TDP1L3MBTL1PTGS2ESR1ADRA2A
SCHEMBL29427461 1.00 TDP1 (0.46) TDP1L3MBTL1PTGS2ESR1ADRA2A
SCHEMBL7964430 1.00 TDP1 (0.46) TDP1L3MBTL1PTGS2ESR1ADRA2A
SCHEMBL7963811 1.00 TDP1 (0.46) TDP1L3MBTL1PTGS2ESR1ADRA2A
SCHEMBL5079241 1.00 TDP1 (0.46) TDP1L3MBTL1PTGS2ESR1ADRA2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3931332-A Stabilized hydroformylation reaction systems CHEVRON RESEARCH COMPANY (US) 1976-01-06 US disclosed