SCHEMBL8569044

SCHEMBL8569044

CCOC(=O)[C@H]1CNc2ccc(Br)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 3/20 0.42
TDP2 O95551 1/20 0.42
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
TSHR P16473 2/20 0.40
GAA P10253 3/20 0.39
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CCR5 P51681 1/20 0.37
KCNT1 Q5JUK3 1/20 0.37
FPR2 P25090 1/20 0.37

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
SCHEMBL8569048 1.00 KMT2A (0.45) KMT2AMEN1POLBMAPK1TDP2
SCHEMBL8569043 1.00 KMT2A (0.45) KMT2AMEN1POLBMAPK1TDP2
SCHEMBL10148374 0.87 ALDH1A1 (0.42) KMT2AMEN1POLBALDH1A1KDM4E
SCHEMBL31083645 0.85 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL6318913 0.84 ALDH1A1 (0.46) KMT2AMEN1POLBMAPK1ALDH1A1
SCHEMBL652636 0.81 HDAC8 (0.41) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL8567787 0.81 MTNR1A (0.49) KMT2AMEN1ALDH1A1KDM4ETSHR
SCHEMBL30576465 0.81 MTNR1A (0.49) KMT2AMEN1ALDH1A1KDM4ETSHR
SCHEMBL8567784 0.81 MTNR1A (0.49) KMT2AMEN1ALDH1A1KDM4ETSHR
SCHEMBL431522 0.81 MTNR1A (0.49) KMT2AMEN1ALDH1A1KDM4ETSHR

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
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 EP disclosed