SCHEMBL9044470

SCHEMBL9044470

CN/C(=C\[N+](=O)[O-])N(C)c1ccc(Br)nc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 2/20 0.31
MAPT P10636 2/20 0.31
BLM P54132 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL27309786 1.00 RAD52 (0.31) RAD52MAPTBLMALDH1A1LMNA
SCHEMBL7669287 0.85 SMN1; SMN2 (0.33) RAD52MAPTBLMALDH1A1LMNA
SCHEMBL8064684 0.85 OXTR (0.44) MAPTMEN1KMT2A
SCHEMBL7658017 0.84 ALDH1A1 (0.34) RAD52MAPTBLMALDH1A1LMNA
SCHEMBL7752451 0.84 ALDH1A1 (0.34) RAD52MAPTBLMALDH1A1LMNA
SCHEMBL9046364 0.80 ALDH1A1 (0.36) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL7658367 0.79 MMP2 (0.35) RAD52MAPTBLMALDH1A1LMNA
SCHEMBL7668595 0.77 GAA (0.40) MAPTALDH1A1LMNASMN1; SMN2MEN1
SCHEMBL27315098 0.76 LIPE (0.45) MAPTALDH1A1RAB9AKMT2A
SCHEMBL9046781 0.76 LIPE (0.45) MAPTALDH1A1RAB9AKMT2A

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-0366085-B1 Tetrahydropyrimidines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1996-04-17 EP disclosed
US-5084459-A Insecticides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-28 US disclosed