SCHEMBL11522975

SCHEMBL11522975

CN(C(=N)NC(N)=O)c1c[nH]cn1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.31
TSHR P16473 2/20 0.31
PAX8 Q06710 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MMP9 P14780 1/20 0.31
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
Hydrochloric Acid SCHEMBL11527342 0.98 LMNA (0.30) LMNATSHRPAX8KDM4EALDH1A1
SCHEMBL11527248 0.72 GABRR1 (0.34) LMNATSHRPAX8KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11522121 0.71 GABRR1 (0.33) LMNATSHRPAX8KDM4EALDH1A1
SCHEMBL10852907 0.70
SCHEMBL11522484 0.69 LMNA (0.31) LMNATSHRPAX8KDM4EALDH1A1
SCHEMBL11530603 0.68 XDH (0.32) LMNATSHRPAX8KDM4EALDH1A1
SCHEMBL11526158 0.65 XDH (0.38) LMNA
SCHEMBL11662702 0.65
SCHEMBL4790338 0.65 TSHR (0.31) LMNATSHRPAX8KDM4EALDH1A1
SCHEMBL6348112 0.64

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-4166860-A TREATMENT OF ACHLORHYDRIA AND DYSMENORRHEA WILLIAM H. RORER, INC. (US) 1979-09-04 US claimed
US-4166860-A TREATMENT OF ACHLORHYDRIA AND DYSMENORRHEA WILLIAM H. RORER, INC. (US) 1979-09-04 US disclosed