SCHEMBL436589

SCHEMBL436589

CCc1ccc2ncc(Cl)c(N)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 4/20 0.46
LMNA P02545 3/20 0.46
KDM4E B2RXH2 3/20 0.46
RAD52 P43351 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 6/20 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
SCHEMBL439366 0.81 ALDH1A1 (0.46) ALDH1A1KMT2AMAPTHPGDLMNA
SCHEMBL441848 0.78 KMT2A (0.55) ALDH1A1KMT2AMAPTHPGDLMNA
SCHEMBL440082 0.78 LMNA (0.47) ALDH1A1KMT2AMAPTHPGDLMNA
SCHEMBL439464 0.78 NR4A2 (0.55)
SCHEMBL440698 0.76 TP53 (0.50) ALDH1A1KMT2AMAPTHPGDLMNA
SCHEMBL8835425 0.75 MAPT (0.40) ALDH1A1KMT2AMAPTHPGDKDM4E
SCHEMBL14690592 0.75 NOS3 (0.43) ALDH1A1KMT2AMAPTHPGDLMNA
SCHEMBL439645 0.75 ACHE (0.46) LMNA
SCHEMBL442137 0.75 HTT (0.49) ALDH1A1KMT2AMAPTLMNAKDM4E
SCHEMBL440060 0.74 BCHE (0.50) MAPTLMNAKDM4E

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