SCHEMBL11203302

SCHEMBL11203302

Nc1ccc(NC(=O)CCBr)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
RAB9A P51151 1/20 0.55
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
APEX1 P27695 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
TP53 P04637 1/20 0.47
CYP1A1 P04798 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HDAC3 O15379 3/20 0.45
HDAC1 Q13547 3/20 0.45
HDAC2 Q92769 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45

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
SCHEMBL15197080 0.88 MAPT (0.64) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL6932064 0.84 MAPT (0.59) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL27616186 0.84 MAPT (0.59) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL18660182 0.84 MEN1 (0.62) MAPTRAB9AMEN1KMT2AL3MBTL1
SCHEMBL9386081 0.82 HDAC3 (0.64) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL28909121 0.82 CYP1A1 (0.67) MAPTMEN1KMT2ATP53CYP1A1
SCHEMBL22397597 0.82 KMT2A (0.70) MAPTRAB9AMEN1KMT2ALMNA
SCHEMBL31473065 0.82 HDAC1 (0.63) MAPTRAB9AMEN1KMT2AL3MBTL1
SCHEMBL18660183 0.82 HDAC1 (0.63) MAPTRAB9AMEN1KMT2AL3MBTL1
SCHEMBL9358417 0.82 MAPT (0.57) MAPTRAB9AMEN1KMT2ALMNA

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
US-4415572-A CARDIOTONIC AND INOTROPIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1983-11-15 US disclosed