SCHEMBL3468752

SCHEMBL3468752

O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(C(c2ccccc2)c2ccccc2)s1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
MEN1 O00255 10/20 0.60
KMT2A Q03164 10/20 0.60
MAPT P10636 7/20 0.60
LMNA P02545 5/20 0.60
RAB9A P51151 5/20 0.60
BLM P54132 3/20 0.58
GAA P10253 3/20 0.58
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
POLB P06746 2/20 0.58
DNMT1 P26358 1/20 0.58
DUSP3 P51452 1/20 0.58
CACNA1B Q00975 1/20 0.58
APBA1 Q02410 1/20 0.58
MCL1 Q07820 1/20 0.58
WRN Q14191 1/20 0.58

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
SCHEMBL3467489 0.88 MEN1 (0.76) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3467876 0.82 SMN1; SMN2 (0.58) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL11875081 0.81 BLM (0.80) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3467505 0.81 KMT2A (0.51) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5439968 0.80 MEN1 (0.73) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8561964 0.79 HTT (0.75) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL8559872 0.78 HTT (0.73) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5439628 0.78 MEN1 (0.55) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5441202 0.78 MEN1 (0.57) HTTSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5441682 0.78 MEN1 (0.66) HTTSMN1; SMN2MEN1KMT2AMAPT

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
WO-2010073011-A2 COMPOUNDS USEFUL AS MEDICAMENTS BETAGENON AB (SE) 2010-07-01 WO claimed