SCHEMBL21376541

SCHEMBL21376541

CC(C)N(C(C)C)P(OCCC#N)OC[C@@H]1C[C@@H](F)[C@H](n2cnc3c(=O)[nH]c(N)nc32)O1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HINT1 P49773 4/20 0.41
PNP P00491 1/20 0.38
NT5E P21589 2/20 0.38
STING1 Q86WV6 2/20 0.38
POLB P06746 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
FUT5 Q11128 1/20 0.37
HPGD P15428 1/20 0.37
GSK3A P49840 2/20 0.37
RPS6KA3 P51812 2/20 0.37
MAPK14 Q16539 2/20 0.37
KRAS P01116 1/20 0.37
TGM2 P21980 1/20 0.36

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
SCHEMBL26152399 0.87 KDM4E (0.48) HINT1NT5ETAAR1KRAS
SCHEMBL1919142 0.85 HINT1 (0.59) HINT1PNPNT5EFUT5GSK3A
SCHEMBL17597173 0.84 POLB (0.56) HINT1PNPNT5EPOLBFUT5
SCHEMBL6243042 0.79 HINT1 (0.50) HINT1PNPNT5ETAAR1FUT5
SCHEMBL3278946 0.79 KDM4E (0.48) HINT1STING1POLBFUT5HPGD
SCHEMBL14896399 0.79 HINT1 (0.49) HINT1PNPNT5ETAAR1HPGD
SCHEMBL6242507 0.78 HINT1 (0.50) HINT1PNPNT5ETAAR1FUT5
SCHEMBL20833132 0.77 KDM4E (0.48) HINT1STING1TAAR1FUT5KRAS
SCHEMBL20833440 0.77 KDM4E (0.49) HINT1TAAR1
SCHEMBL6242581 0.76 HINT1 (0.48) HINT1PNPNT5ETAAR1FUT5

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
WO-2019175260-A2 MODIFIED OLIGONUCLEOTIDES AND METHODS OF USE IN TAUOPATHIES JANSSEN PHARMACEUTICA NV (BE) 2019-09-19 WO disclosed