SCHEMBL2823249

SCHEMBL2823249

c1coc(-c2ccc(C34CCCN(CC3)C4)nn2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 6/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 1/20 0.39
SMARCA2 P51531 5/20 0.39
PBRM1 Q86U86 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
BLM P54132 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
EIF4H Q15056 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMARCA4 P51532 3/20 0.38
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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 SCHEMBL2819670 0.99 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTGAASMARCA2
SCHEMBL5217419 0.81 CYP11B1 (0.38) ALDH1A1KDM4EMAPTGAASMARCA2
Bromide SCHEMBL4472191 0.80 CYP11B1 (0.37) ALDH1A1KDM4EMAPTGAASMARCA2
SCHEMBL668390 0.79 ACHE (0.36) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4442686 0.78 CYP11B1 (0.39) ALDH1A1KDM4EMAPTGAASMARCA2
SCHEMBL2821301 0.78 CHRNA7 (0.35) ALDH1A1PBRM1HSD17B10
SCHEMBL2820232 0.73
SCHEMBL2820263 0.73 SLC6A2 (0.31)
SCHEMBL2819756 0.73 CHRM2 (0.33) ALDH1A1MAPTKMT2ANPC1HSD17B10
SCHEMBL2846380 0.73 IL4I1 (0.38) KDM4EMAPTMEN1KMT2ANPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1922320-B1 DERIVATIVES OF 5-PYRIDAZINYL-1-AZABICYCLO[3.2.1]OCTANE, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2010-10-27 EP claimed