SCHEMBL7973294

SCHEMBL7973294

COCCOc1nc(N(Cc2ccccc2)Cc2ccccc2)c2nc(OCCOC)nc(N(Cc3ccccc3)Cc3ccccc3)c2n1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.47
NUDT1 P36639 2/20 0.42
NOS1 P29475 3/20 0.41
EGFR P00533 2/20 0.37
CSF1R P07333 2/20 0.37
TSHR P16473 2/20 0.37
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CRHR1 P34998 1/20 0.36

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
SCHEMBL7973381 0.87 TLR7 (0.46) TLR7NUDT1EGFRCSF1RALDH1A1
SCHEMBL7970274 0.74 TLR7 (0.42) TLR7CSF1RALDH1A1LMNA
SCHEMBL7941513 0.69 TLR7 (0.56) TLR7NUDT1TSHR
SCHEMBL21840597 0.66 TDP1 (0.46) TSHRNPSR1ALDH1A1LMNAKDM4E
SCHEMBL25659408 0.66 TSHR (0.41) TLR7NUDT1TSHR
SCHEMBL7937354 0.64 KDM4E (0.51) NOS1CSF1RTSHRNPSR1ALDH1A1
SCHEMBL27945207 0.64 TSHR (0.55) TSHRALDH1A1GAAKDM4E
SCHEMBL3023761 0.63 TLR7 (0.50) TLR7NUDT1TSHR
SCHEMBL8682782 0.63 TSHR (0.46) TLR7NUDT1TSHRALDH1A1
SCHEMBL8281042 0.62 MEN1 (0.51) TSHRNPSR1ALDH1A1LMNA

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-6297250-B1 USEFUL FOR INHIBITING TRANSPORT OF NUCLEOSIDES OR PURINES ACROSS CELL MEMBRANES, THEREBY TO POTENTIATE THE ACTIVITY OF VARIOUS CYTOTOXIC ANTITUMOR DRUGS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-10-02 US claimed
US-6297250-B1 USEFUL FOR INHIBITING TRANSPORT OF NUCLEOSIDES OR PURINES ACROSS CELL MEMBRANES, THEREBY TO POTENTIATE THE ACTIVITY OF VARIOUS CYTOTOXIC ANTITUMOR DRUGS NEWCASTLE UNIVERSITY VENTURES LIMITED (GB) 2001-10-02 US disclosed