SCHEMBL9798103

SCHEMBL9798103

Nc1nc2c(ncn2Cc2cccs2)c(=O)[nH]1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNP P00491 16/20 0.66
TK1 P04183 2/20 0.53
USP2 O75604 1/20 0.52
TSHR P16473 1/20 0.52
EDNRA P25101 1/20 0.52
HTR2A P28223 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
HBB P68871 1/20 0.52
HSD17B10 Q99714 1/20 0.52

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
Hydrochloric Acid SCHEMBL17186373 0.99 PNP (0.65) PNPTK1USP2TSHREDNRA
Hydrochloric Acid SCHEMBL17186289 0.87 PNP (0.56) PNPTK1USP2TSHREDNRA
SCHEMBL4967486 0.81 PNP (0.59) PNPTK1USP2TSHREDNRA
SCHEMBL18249 0.80 PNP (1.00) PNPTK1
SCHEMBL21629986 0.80 PNP (0.58) PNPTK1USP2TSHREDNRA
SCHEMBL9798305 0.80 PNP (0.61) PNPTK1USP2TSHREDNRA
SCHEMBL4966181 0.79 PNP (0.64) PNPTK1USP2TSHREDNRA
SCHEMBL9665264 0.79 PNP (1.00) PNPUSP2TSHRHSD17B10
SCHEMBL9700023 0.79 PNP (0.60) PNP
SCHEMBL9799097 0.79 PNP (0.60) PNPTK1USP2TSHREDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4772606-A AUTOIMMUNE DISEASES, ORGAN TRANSPLANTS WARNER-LAMBERT COMPANY (US) 1988-09-20 US claimed
CN-113717174-B Tumor targeting drug resistant O6-thienylmethylguanine-indoloquinone-chloroethylnitrosourea combined molecule and preparation method thereof 北京工业大学 2022-07-12 CN disclosed
CN-113730595-A Multifunctional nano-carrier with drug resistance and dual responsiveness of hypoxia/glutathione and preparation method and application thereof 北京工业大学 2021-12-03 CN disclosed
CN-113730595-A Multifunctional nano-carrier with drug resistance and dual responsiveness of hypoxia/glutathione and preparation method and application thereof 北京工业大学 2021-12-03 CN disclosed
CN-113717174-A Tumor targeting drug resistant O6-thienylmethylguanine-indoloquinone-chloroethylnitrosourea combined molecule and preparation method thereof 北京工业大学 2021-11-30 CN disclosed
US-5051429-A For treatment of autoimmune diseases such as arthritis, lupus, antiinflammatory agents, multiple sclerosis, diabetes and viral diseases WARNER-LAMBERT CO. (US) 1991-09-24 US disclosed
US-4952693-A TREATING AUTOIMMUNE DISEASES WARNER-LAMBERT COMPANY (US) 1990-08-28 US disclosed
US-4772606-A AUTOIMMUNE DISEASES, ORGAN TRANSPLANTS WARNER-LAMBERT COMPANY (US) 1988-09-20 US disclosed
EP-0178178-A2 Purine derivatives WARNER-LAMBERT COMPANY (US) 1986-04-16 EP disclosed