SCHEMBL3369413

SCHEMBL3369413

Nn1cnnn1.c1ccc([PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.32
HMOX1 P09601 1/20 0.31
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
TP53 P04637 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
SCHEMBL2228169 0.73
SCHEMBL828913 0.73
SCHEMBL9026071 0.73 MEN1 (0.39) NOTUMALDH1A1KMT2A
SCHEMBL1922969 0.73
SCHEMBL26674 0.68 ALDH1A1 (0.40) ALDH1A1HSD17B10
SCHEMBL28748541 0.68 ALDH1A1 (0.40) ALDH1A1HSD17B10
Guanidine SCHEMBL2249053 0.66 MAPT (0.34) NOTUMALDH1A1KMT2A
Hydrochloric Acid SCHEMBL8028044 0.65 ALDH1A1 (0.38) ALDH1A1HSD17B10
Fluoride SCHEMBL18936426 0.65 ALDH1A1 (0.38) ALDH1A1HSD17B10
Phosphine SCHEMBL20701190 0.65 ALDH1A1 (0.38) ALDH1A1HSD17B10

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
WO-2010115075-A1 ETCHANT COMPOSITION AND METHOD E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-07 WO claimed
US-20100252530-A1 ETCHANT COMPOSITION AND METHOD E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-10-07 US claimed