SCHEMBL1552224

SCHEMBL1552224

Nc1nc(N)nc(N)n1.OCN(CO)c1nc(N(CO)CO)nc(N(CO)CO)n1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
CASP1 P29466 1/20 0.35
CYP1A2 P05177 1/20 0.34
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL63020 0.95 MAPT (0.37) MAPTCASP1CYP1A2LMNASMN1; SMN2
SCHEMBL62454 0.95 MAPT (0.41) MAPTCYP1A2
Formaldehyde SCHEMBL8162878 0.88 CYP1A2 (0.35) MAPTCASP1CYP1A2LMNA
SCHEMBL3700803 0.86 MAPT (0.37) MAPT
Methoxymethane SCHEMBL11812708 0.86 MAPT (0.41) MAPTLMNA
SCHEMBL25245 0.86 SLC29A1 (0.34) MAPTCYP1A2LMNASMN1; SMN2
SCHEMBL11769469 0.84 LMNA (0.45) MAPTLMNA
SCHEMBL11816505 0.84 CYP1A2 (0.32) MAPTCYP1A2
SCHEMBL28223407 0.84 GPR68 (0.33) MAPTLMNASMN1; SMN2
Water SCHEMBL5536541 0.83 TSHR (0.37) MAPTCYP1A2LMNASMN1; SMN2

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
EP-2017055-B1 METHOD FOR PRODUCTION OF POLYMER THIN FILM RIKEN (JP) 2011-04-27 EP disclosed
US-3951887-A VULCANIZABLE, FORMALDEHYDE DONOR AND FORMALDEHYDE ACCEPTOR SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1976-04-20 US disclosed