SCHEMBL8013907

SCHEMBL8013907

c1ccc2c(c1)ncn2Sn1cnc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.52
▸ HTT P42858 4/20 0.50
▸ CYP11B1 P15538 3/20 0.46
▸ CYP11B2 P19099 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ TNF P01375 1/20 0.46
▸ FGFR1 P11362 1/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ STAT6 P42226 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ EGLN3 Q9H6Z9 1/20 0.41

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
SCHEMBL273486 0.86 TDP1 (0.52) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL6381049 0.83 TDP1 (0.48) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL20683088 0.83 TDP1 (0.48) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL1879818 0.79 HTT (0.48) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL9060998 0.78 TDP1 (0.48) TDP1HTTCYP11B1CYP11B2TNF
SCHEMBL8413080 0.78 TDP1 (0.48) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL14722522 0.78 TDP1 (0.44) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL15525424 0.78 TDP1 (0.44) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL8412995 0.77 MEN1 (0.47) TDP1HTTCYP11B1CYP11B2POLB
SCHEMBL8792548 0.75 TDP1 (0.46) TDP1HTTCYP11B1CYP11B2TNF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127574-A Carbonylation process BP CHEMICALS LIMITED (GB) 2000-10-03 — — US disclosed
EP-0103978-B1 SINGLE STAGE PRODUCTION OF IMPROVED HIGH MOLECULAR WEIGHT POLYBENZIMIDAZOLE CELANESE CORPORATION (US) 1986-11-05 — — EP disclosed
US-4481327-A TIRES OF HIGH GREEN STRENGTH BRIDGESTONE TIRE COMPANY, LTD. (JP) 1984-11-06 — — US disclosed
US-4440933-A HISTAMINE H2-RECEPTOR ANTAGONISTS BRISTOL-MYERS COMPANY (US) 1984-04-03 — — US disclosed
Send feedback