SCHEMBL437542

SCHEMBL437542

Cc1cc(Br)c2ncc(Cl)c(N)c2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
RAD52 P43351 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
F2RL3 Q96RI0 1/20 0.33
HTT P42858 2/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
ACHE P22303 3/20 0.31
GRIN1 Q05586 3/20 0.31
GRIN2A Q12879 3/20 0.31
BCHE P06276 2/20 0.31
PRNP P04156 1/20 0.30
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL441217 0.84 KDM4E (0.36) KDM4EALDH1A1POLBRAD52KMT2A
SCHEMBL438361 0.84 ALDH1A1 (0.36) KDM4EALDH1A1POLBRAD52KMT2A
SCHEMBL437457 0.83 KDM4E (0.45) KDM4EALDH1A1POLBRAD52KMT2A
SCHEMBL436601 0.80 KMT2A (0.33) KDM4EALDH1A1POLBRAD52KMT2A
SCHEMBL439801 0.77 ACHE (0.37) KDM4EALDH1A1POLBRAD52KMT2A
SCHEMBL439044 0.75 HAVCR2 (0.47) KDM4EALDH1A1KMT2AHTTHPGD
SCHEMBL441974 0.73 HAVCR2 (0.38) ALDH1A1KMT2A
SCHEMBL436945 0.72 KDM4E (0.45) KDM4EALDH1A1POLBRAD52KMT2A
SCHEMBL31392519 0.72 KDM4E (0.39) KDM4EALDH1A1KMT2ASMN1; SMN2F2RL3
SCHEMBL439580 0.72 BCHE (0.40) KDM4EALDH1A1POLBRAD52KMT2A

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-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed