SCHEMBL9798141

SCHEMBL9798141

Nc1nc2c(nc(Br)n2Cc2cccs2)c(=O)[nH]1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 9/20 0.78
HPRT1 P00492 4/20 0.46
NOS1 P29475 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PDE7A Q13946 1/20 0.41
PDE7B Q9NP56 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
SCHEMBL9665264 0.88 PNP (1.00) PNPNOS1MEN1KMT2AKDM4E
SCHEMBL2128391 0.80 PNP (0.76) PNPHPRT1PDE7APDE7B
SCHEMBL9798182 0.80 PNP (0.51) PNPHPRT1MEN1KMT2AALDH1A1
SCHEMBL9799091 0.79 PNP (0.50) PNPHPRT1PDE7APDE7B
SCHEMBL10386634 0.79 PNP (0.78) PNPHPRT1MEN1KMT2AKDM4E
SCHEMBL10642210 0.79 PNP (0.78) PNPNOS1
SCHEMBL9798219 0.78 PNP (0.67) PNPMEN1KMT2A
SCHEMBL9798103 0.77 PNP (0.66) PNPUSP2TSHRHSD17B10
SCHEMBL10506664 0.77 PNP (0.60) PNPHPRT1
SCHEMBL9799129 0.77 PNP (0.48) PNPHPRT1PDE7APDE7B

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 6 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
EP-0178178-A2 Purine derivatives WARNER-LAMBERT COMPANY (US) 1986-04-16 EP claimed
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