SCHEMBL28008552

SCHEMBL28008552

COc1cc2nc(Cl)nc(Cl)c2c(Br)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PGK1 P00558 2/20 0.37
HTT P42858 1/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA4 P22748 3/20 0.36
CA6 P23280 3/20 0.36
PTPN1 P18031 1/20 0.35
EGFR P00533 2/20 0.35
KDR P35968 2/20 0.35
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34

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
SCHEMBL11209986 0.85 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KDM4EPGK1HTT
SCHEMBL16689300 0.84 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1KDM4EPGK1HTT
SCHEMBL14367995 0.83 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1KDM4EPGK1HTT
SCHEMBL6767043 0.81 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KDM4EPGK1HTT
SCHEMBL16689327 0.81 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1KDM4EPGK1HTT
SCHEMBL7652710 0.78 SLC10A2 (0.40) SMN1; SMN2ALDH1A1KDM4EPGK1HTT
SCHEMBL6764873 0.76 TNF (0.44) SMN1; SMN2ALDH1A1KDM4EHTTEGFR
SCHEMBL6767322 0.76 SLC10A2 (0.46) SMN1; SMN2ALDH1A1KDM4ETUBB4ATUBB
SCHEMBL16689304 0.75 HSP90AA1 (0.39) SMN1; SMN2ALDH1A1KDM4EHTTCA1
SCHEMBL6951164 0.74 PDGFRB (0.41) SMN1; SMN2ALDH1A1KDM4EKDRSLC10A2

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
CN-104662015-A Complement pathway modulators and uses thereof NOVARTIS AG 2015-05-27 CN disclosed