SCHEMBL10891761

SCHEMBL10891761

CC(=O)OC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)[C@H](Br)[C@@H]1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
THRB P10828 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA1 P00915 10/20 0.40
CA2 P00918 10/20 0.40
CA9 Q16790 10/20 0.40
CA12 O43570 8/20 0.40
CA14 Q9ULX7 8/20 0.40
TSHR P16473 1/20 0.39
PRKCA P17252 1/20 0.38
AKT1 P31749 1/20 0.38
PTK2 Q05397 1/20 0.38
PTPN1 P18031 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
SCHEMBL10891754 1.00 ALDH1A1 (0.45) ALDH1A1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL9856461 0.91 LMNA (0.52) ALDH1A1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL31685675 0.91 LMNA (0.52) ALDH1A1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL2583271 0.91 LMNA (0.52) ALDH1A1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL10886808 0.90 ALDH1A1 (0.47) ALDH1A1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL10886816 0.90 ALDH1A1 (0.47) ALDH1A1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL10891201 0.89 ALDH1A1 (0.46) ALDH1A1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL10891719 0.89 ALDH1A1 (0.44) ALDH1A1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL10887645 0.89 ALDH1A1 (0.44) ALDH1A1LMNATHRBSMN1; SMN2HIF1A
SCHEMBL10891192 0.89 ALDH1A1 (0.46) ALDH1A1LMNATHRBSMN1; SMN2HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0010205-B1 5-SUBSTITUTED 1-(2'-DEOXY-2'-SUBSTITUTED-BETA-D-ARABINOFURANOSYL) PYRIMIDINE NUCLEOSIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sloan-Kettering Institute For Cancer Research (US) 1983-05-04 EP claimed
US-4211773-A VIRICIDES, ANTITUMOR AGENTS SLOAN KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1980-07-08 US claimed
US-4594339-A Veterinary medicine SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1986-06-10 US disclosed
EP-0010205-B1 5-SUBSTITUTED 1-(2'-DEOXY-2'-SUBSTITUTED-BETA-D-ARABINOFURANOSYL) PYRIMIDINE NUCLEOSIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sloan-Kettering Institute For Cancer Research (US) 1983-05-04 EP disclosed
US-4211773-A VIRICIDES, ANTITUMOR AGENTS SLOAN KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1980-07-08 US disclosed