SCHEMBL438361

SCHEMBL438361

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
KMT2A Q03164 3/20 0.36
POLB P06746 2/20 0.36
RAD52 P43351 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 4/20 0.35
MITF O75030 1/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
DYRK1A Q13627 1/20 0.33
PRNP P04156 1/20 0.32
PPARG P37231 1/20 0.32
NCOA2 Q15596 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NR2E3 Q9Y5X4 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
UHRF1 Q96T88 1/20 0.31
CCR1 P32246 1/20 0.31

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
SCHEMBL436945 0.87 KDM4E (0.45) ALDH1A1KDM4EKMT2APOLBRAD52
SCHEMBL436601 0.84 KMT2A (0.33) ALDH1A1KDM4EKMT2APOLBRAD52
SCHEMBL437542 0.84 KDM4E (0.33) ALDH1A1KDM4EKMT2APOLBRAD52
SCHEMBL439044 0.79 HAVCR2 (0.47) ALDH1A1KDM4EKMT2AHTTHPGD
SCHEMBL435828 0.76 ACHE (0.39) ALDH1A1KDM4EKMT2APOLBRAD52
SCHEMBL438293 0.74 NPC1 (0.55) ALDH1A1KDM4EKMT2ASMN1; SMN2MAPT
SCHEMBL441685 0.74 ACHE (0.35) ALDH1A1KDM4EKMT2APOLBRAD52
SCHEMBL442244 0.73 ACHE (0.43) ALDH1A1KDM4EKMT2APOLBRAD52
SCHEMBL439148 0.73 NR4A2 (0.40) ALDH1A1KDM4EKMT2ASMN1; SMN2HTT
SCHEMBL31328707 0.70 GAA (0.32) KMT2AHTTMAPTACHEGRIN1

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