SCHEMBL8003446

SCHEMBL8003446

CN(C)c1ccc2nc3ccccc3cc2c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 11/20 0.45
ALDH1A1 P00352 2/20 0.45
GLA P06280 2/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.45
POLB P06746 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
PTBP1 P26599 1/20 0.45
RCE1 Q9Y256 1/20 0.45
MAPT P10636 1/20 0.44
ACHE P22303 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
NCF1 P14598 1/20 0.40
SLC2A1 P11166 1/20 0.38
APOBEC3A P31941 1/20 0.38
RAD52 P43351 1/20 0.38

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
SCHEMBL7991166 0.82 ALDH1A1 (0.46) KDM1AALDH1A1GLAHPGDNPC1
SCHEMBL8000112 0.81 ALDH1A1 (0.41) KDM1AALDH1A1GLAHPGDNPC1
SCHEMBL8003433 0.81 ALDH1A1 (0.45) KDM1AALDH1A1GLAHPGDNPC1
Bromide SCHEMBL8000115 0.81 ALDH1A1 (0.45) KDM1AALDH1A1GLAHPGDNPC1
Hydrochloric Acid SCHEMBL8519725 0.81 ALDH1A1 (0.45) KDM1AALDH1A1GLAHPGDNPC1
SCHEMBL2872359 0.80 KDM4E (0.55) KDM1AALDH1A1GLAHPGDNPC1
SCHEMBL28241450 0.79 ESR1 (0.53) KDM1AALDH1A1GLAHPGDNPC1
Hydrochloric Acid SCHEMBL8003436 0.78 ALDH1A1 (0.53) KDM1AALDH1A1GLAHPGDNPC1
Bromide SCHEMBL8003449 0.78 KDM4E (0.53) KDM1AALDH1A1GLAHPGDNPC1
SCHEMBL3260285 0.78 ALDH1A1 (0.52) KDM1AALDH1A1GLAHPGDNPC1

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-0751951-A4 DIAGNOSIS, THERAPY AND CELLULAR AND ANIMAL MODELS FOR DISEASES ASSOCIATED WITH MITOCHONDRIAL DEFECTS MITOKOR (US) 2000-05-03 EP disclosed
EP-0751951-A1 DIAGNOSIS, THERAPY AND CELLULAR AND ANIMAL MODELS FOR DISEASES ASSOCIATED WITH MITOCHONDRIAL DEFECTS Mitokor (US) 1997-01-08 EP disclosed