SCHEMBL9634546

SCHEMBL9634546

O=C1NC(=S)N=C2N=CN=C12

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.41
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL308136 0.80 MPO (0.36) MPO
SCHEMBL3801963 0.80 MPO (0.36) MPO
SCHEMBL4774365 0.77 MPO (0.34) MPO
SCHEMBL7617970 0.73 MPO (0.41) MPO
SCHEMBL563036 0.73 MPO (0.32) MPO
SCHEMBL7624091 0.65
SCHEMBL3305612 0.64
SCHEMBL1720840 0.63
SCHEMBL8847459 0.61
SCHEMBL2523527 0.60 DHFR (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5126439-A Complementary purines and pyrimidines TEMPLE UNIVERSITY (US) 1992-06-30 US claimed
US-5126439-A Complementary purines and pyrimidines TEMPLE UNIVERSITY (US) 1992-06-30 US disclosed
EP-0333832-B1 ARTIFICIAL DNA BASE PAIR ANALOGUES TEMPLE UNIVERSITY (US) 1992-06-03 EP disclosed
EP-0333832-A1 ARTIFICIAL DNA BASE PAIR ANALOGUES TEMPLE UNIVERSITY (US) 1989-09-27 EP disclosed
WO-1989002921-A1 ARTIFICIAL DNA BASE PAIR ANALOGUES TEMPLE UNIVERSITY (US) 1989-04-06 WO disclosed