SCHEMBL439366

SCHEMBL439366

CCc1ccc2ncc(Br)c(N)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
HPGD P15428 3/20 0.46
RAD52 P43351 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TYMS P04818 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40
MEN1 O00255 4/20 0.38
GAA P10253 1/20 0.38
PTK2B Q14289 1/20 0.38
TP53 P04637 4/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL436589 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTLMNAHPGD
SCHEMBL439021 0.78 KMT2A (0.55) ALDH1A1KMT2AMAPTLMNAHPGD
SCHEMBL442244 0.78 ACHE (0.43) ALDH1A1KMT2AMAPTLMNARAD52
SCHEMBL438613 0.78 BCHE (0.45) ALDH1A1MAPTLMNASMN1; SMN2HTT
SCHEMBL440698 0.76 TP53 (0.50) ALDH1A1KMT2AMAPTLMNAHPGD
SCHEMBL437551 0.75 NR4A2 (0.51)
SCHEMBL439853 0.75 BCHE (0.43) LMNATYMS
SCHEMBL439635 0.74 APP (0.48) ALDH1A1KMT2AMAPTLMNAKDM4E
SCHEMBL437947 0.73 KMT2A (0.53) ALDH1A1KMT2AMAPTLMNAHPGD
SCHEMBL21359345 0.73 ALDH1A1 (0.37) ALDH1A1KMT2AMAPTLMNAHPGD

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