SCHEMBL9899656

SCHEMBL9899656

NC(=O)Cc1ccc(Cl)nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
CA2 P00918 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
ATM Q13315 1/20 0.33
ACLY P53396 1/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TKT P29401 1/20 0.32
ACACA Q13085 1/20 0.32
ICMT O60725 1/20 0.32
PLA2G10 O15496 1/20 0.32

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
SCHEMBL939319 0.86 NAPRT (0.34) ALDH1A1GAATKT
SCHEMBL940930 0.82 AKR1B1 (0.41) CA2ALDH1A1
SCHEMBL9899603 0.81 ICMT (0.36) HTTSIRT1CA2ALDH1A1ATM
SCHEMBL29202692 0.81 LMNA (0.36) HTTSIRT1CA2SMN1; SMN2ATM
SCHEMBL18131334 0.81 HTT (0.42) HTTSIRT1CA2ALDH1A1TKT
SCHEMBL838041 0.77 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2ACLYGAA
SCHEMBL31582761 0.75 ALDH1A1 (0.34) ALDH1A1TKT
SCHEMBL31583141 0.74 EPHX1 (0.38) HTTALDH1A1SMN1; SMN2GAATKT
SCHEMBL7083846 0.73 CD274 (0.41)
SCHEMBL5745630 0.73 CTRC (0.39) SMN1; SMN2NPSR1TKT

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-2012078608-A1 PREPARATION OF PHANTASMIDINE AND ANALOGUES THEREOF BRANDEIS UNIVERSITY (US) 2012-06-14 WO disclosed