SCHEMBL31053271

SCHEMBL31053271

CCOC(=O)Cc1ccc(Br)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
S1PR4 O95977 1/20 0.47
S1PR1 P21453 1/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 3/20 0.44
HPGD P15428 1/20 0.44
PKM P14618 1/20 0.43
JAK2 O60674 1/20 0.42
PAK4 O96013 1/20 0.42
NTRK1 P04629 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CSF1R P07333 1/20 0.42
RET P07949 1/20 0.42
MET P08581 1/20 0.42

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
SCHEMBL20772934 1.00 KMT2A (0.47) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL30966523 0.87 MAPT (0.46) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL6024765 0.87 MAPT (0.44) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL18551961 0.86 ATM (0.46) KMT2AMEN1LMNAALDH1A1HPGD
SCHEMBL29853167 0.85 EGFR (0.46) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL21437928 0.85 EGFR (0.46) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL13751380 0.85 HPGD (0.45) KMT2AMAPTMEN1LMNAALDH1A1
SCHEMBL12069886 0.84 MAPT (0.44) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL30336943 0.84 ALDH1A1 (0.45) KMT2AMAPTMEN1LMNANPSR1
SCHEMBL1680849 0.84 ALDH1A1 (0.45) KMT2AMAPTMEN1LMNANPSR1

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
CN-118496142-A Aryl alkylamine compound and preparation method and application thereof 仁合益康集团有限公司 2024-08-16 CN disclosed