Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL5134889

COCCCc1ccc(C)c(CNC2CC2)c1.N

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.35
TSHR P16473 1/20 0.35
REN P00797 3/20 0.34
CYP3A4 P08684 1/20 0.34
RAB9A P51151 1/20 0.33
BACE1 P56817 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
POLB P06746 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL663208 0.99 KDM4E (0.37) MEN1KMT2AKDM4EGAAHTT
Ammonia Solution, Strong SCHEMBL1072026 0.92 MEN1 (0.38) MEN1KMT2AKDM4EGAAHTT
SCHEMBL661848 0.91 MEN1 (0.38) MEN1KMT2AKDM4EGAAHTT
SCHEMBL27973124 0.88 ALDH1A1 (0.41) MEN1KMT2AKDM4EGAAHTT
SCHEMBL5134892 0.86 REN (0.33) MEN1KMT2ARENCYP3A4BACE1
SCHEMBL660901 0.84 REN (0.41) MEN1KMT2AKDM4EGAAHTT
SCHEMBL1081062 0.84 MEN1 (0.36) MEN1KMT2AKDM4EGAAHTT
SCHEMBL1518881 0.84 KDM4E (0.38) MEN1KMT2AKDM4EGAAHTT
SCHEMBL10186643 0.83 SKP2 (0.44) MEN1KMT2AKDM4EHTTCYP3A4
SCHEMBL1072293 0.82 KMT2A (0.35) MEN1KMT2AKDM4EGAAHTT

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-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 WO disclosed