SCHEMBL11244724

SCHEMBL11244724

CC(=O)OCCOCn1cnc2c(Cl)nc(Cl)nc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
TSHR P16473 2/20 0.57
P2RX7 Q99572 1/20 0.50
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
MAPT P10636 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HBB P68871 2/20 0.44
MAPK1 P28482 1/20 0.44
PNP P00491 3/20 0.41
USP2 O75604 1/20 0.41
EDNRA P25101 1/20 0.41
HTR2A P28223 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40

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
SCHEMBL10997483 0.93 TSHR (0.50) MEN1KMT2ATSHRP2RX7ALDH1A1
SCHEMBL9366819 0.89 MEN1 (0.56) MEN1KMT2ATSHRHBBMAPK1
SCHEMBL12537333 0.86 P2RX7 (0.50) MEN1KMT2ATSHRP2RX7ALDH1A1
SCHEMBL9366802 0.85 MEN1 (0.63) MEN1KMT2ATSHRP2RX7ALDH1A1
SCHEMBL7448126 0.84 MEN1 (0.53) MEN1KMT2ATSHRP2RX7HBB
SCHEMBL11242909 0.83 P2RX7 (0.48) MEN1KMT2ATSHRP2RX7ALDH1A1
SCHEMBL30496451 0.81 P2RX7 (0.43) MEN1KMT2ATSHRP2RX7ALDH1A1
SCHEMBL3267555 0.81 P2RX7 (0.43) MEN1KMT2ATSHRP2RX7ALDH1A1
SCHEMBL8306098 0.80 P2RX7 (0.43) TSHRP2RX7HBBPNPUSP2
SCHEMBL11249941 0.78 MEN1 (0.57) MEN1KMT2ATSHRALDH1A1HBB

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
US-4360522-A VIRICIDES BURROUGHS WELLCOME CO. (US) 1982-11-23 US disclosed
US-4323573-A VIRICIDES BURROUGHS WELLCOME CO. (US) 1982-04-06 US disclosed
US-4294831-A ANTIVIRAL ACTIVITY BURROUGHS WELLCOME CO. (US) 1981-10-13 US disclosed
US-4199574-A Methods and compositions for treating viral infections and guanine acyclic nucleosides BURROUGHS WELLCOME CO. (US) 1980-04-22 US disclosed
US-4146715-A ANTIVIRAL AGENTS BURROUGHS WELLCOME CO. (US) 1979-03-27 US disclosed