SCHEMBL18166557

SCHEMBL18166557

Cn1c(=O)c2c(ncn2CCNC(=O)Cc2ccc(C(F)(F)F)c(Cl)c2)n(C)c1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ HTT P42858 2/20 0.52
▸ UBE2N P61088 2/20 0.52
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ RXFP1 Q9HBX9 5/20 0.49
▸ POLB P06746 1/20 0.49
▸ KMT2A Q03164 2/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ TP53 P04637 2/20 0.47
▸ THRB P10828 1/20 0.47
▸ ABCC8 Q09428 1/20 0.47
▸ KCNJ11 Q14654 1/20 0.47
▸ ADORA2B P29275 4/20 0.45
▸ MAPT P10636 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ MEN1 O00255 1/20 0.44

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
SCHEMBL4533674 0.90 CYP1A2 (0.50) LMNASMN1; SMN2HTTUBE2NCYP1A2
SCHEMBL18166745 0.88 LMNA (0.55) LMNASMN1; SMN2HTTUBE2NCYP1A2
SCHEMBL10151088 0.80 ALDH1A1 (0.65) LMNASMN1; SMN2CYP1A2CYP3A4RXFP1
SCHEMBL3798953 0.79 RXFP1 (0.70) CYP1A2RXFP1POLBKMT2ATP53
SCHEMBL1064795 0.75 CYP1A2 (0.73) LMNASMN1; SMN2HTTUBE2NCYP1A2
SCHEMBL10114081 0.73 RXFP1 (0.70) CYP1A2RXFP1POLBKMT2ATP53
SCHEMBL12584444 0.73 CYP1A2 (0.71) LMNASMN1; SMN2HTTUBE2NCYP1A2
SCHEMBL18166655 0.73 ADORA2B (0.52) LMNASMN1; SMN2RXFP1POLBKMT2A
SCHEMBL15394708 0.73 RXFP1 (0.67) CYP1A2RXFP1POLBKMT2ATP53
SCHEMBL20161634 0.72 LMNA (0.68) LMNASMN1; SMN2HTTUBE2NCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3663295-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL ELI LILLY AND CO. (US) 2020-06-10 — — EP disclosed
EP-3184527-A1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL Hydra Biosciences, Inc. (US) 2017-06-28 — — EP disclosed
EP-2170309-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL HYDRA BIOSCIENCES INC (US) 2016-10-26 — — EP disclosed
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