SCHEMBL11046232

SCHEMBL11046232

COc1ccccc1COc1ncnc2c(N3CC[S+]([O-])CC3)nc(N(C(C)O)C(C)O)nc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.33
KIT P10721 1/20 0.33
TP53 P04637 5/20 0.32
KMT2A Q03164 2/20 0.32
ENPP1 P22413 1/20 0.32
CDK1 P06493 1/20 0.32
LMNA P02545 3/20 0.31
TSHR P16473 3/20 0.31
HSD17B10 Q99714 3/20 0.31
AURKA O14965 1/20 0.31
MAPT P10636 1/20 0.31
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 2/20 0.31
HPGD P15428 2/20 0.31
HTT P42858 2/20 0.31
GALR3 O60755 1/20 0.31
ALKBH1 Q13686 1/20 0.31
POLB P06746 2/20 0.30

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
SCHEMBL11025913 0.87 SLC29A1 (0.33) KMT2ALMNATSHRHSD17B10MAPT
SCHEMBL11029550 0.86 PDGFRB (0.34) KITTSHRHSD17B10ALDH1A1KDM4E
SCHEMBL11023760 0.84 KIT (0.34) KITLMNATSHRALDH1A1HPGD
SCHEMBL11046910 0.82 HRH4 (0.38) LMNATSHRALDH1A1HPGDHTT
SCHEMBL11028075 0.82 HRH4 (0.39) LMNATSHRALDH1A1HPGDHTT
SCHEMBL11052623 0.82 HRH4 (0.41) LMNATSHRALDH1A1HPGDHTT
SCHEMBL11021987 0.82 SLC29A1 (0.33) MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL11312367 0.81 ACACB (0.35) KITLMNATSHRALDH1A1HPGD
SCHEMBL11030154 0.80 SLC29A1 (0.32)
SCHEMBL11026067 0.80 NPC1 (0.31) CDK1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4478833-A ANTICOAGULANTS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-10-23 US disclosed
EP-0055444-A2 Trisubstituted pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1982-07-07 EP disclosed