SCHEMBL11242909

SCHEMBL11242909

O=C(OCCOCn1cnc2c(Cl)nc(Cl)nc21)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.48
YTHDC1 Q96MU7 6/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TSHR P16473 2/20 0.41
MAPK1 P28482 3/20 0.40
PKM P14618 2/20 0.40
POLB P06746 1/20 0.40
HBB P68871 1/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC3 O15379 3/20 0.39
HDAC4 P56524 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39

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
SCHEMBL9369791 0.90 HDAC1 (0.48) MEN1KMT2ATSHRMAPK1HBB
SCHEMBL11729464 0.89 HDAC1 (0.48) MEN1KMT2ATSHRMAPK1HBB
SCHEMBL9828030 0.86 P2RX7 (0.52) P2RX7POLBHDAC6
SCHEMBL10639865 0.83 P2RX7 (0.44) P2RX7YTHDC1MEN1KMT2AHDAC1
SCHEMBL11244724 0.83 MEN1 (0.57) P2RX7YTHDC1MEN1KMT2ATSHR
SCHEMBL11249255 0.80 EGFR (0.46) MEN1KMT2ATSHRMAPK1HBB
SCHEMBL12537294 0.79 P2RX7 (0.66) P2RX7YTHDC1MEN1KMT2AMAPK1
SCHEMBL8660736 0.78 PNP (0.67) MEN1KMT2ATSHRMAPK1HBB
SCHEMBL11260801 0.77 MEN1 (0.52) MEN1KMT2ATSHRMAPK1HBB
SCHEMBL4094131 0.77 EGFR (0.64) ALDH1A1HPGD

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