SCHEMBL27830559

SCHEMBL27830559

CC(C)(C)OC(N)=O.Clc1ncnc2[nH]cnc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPT P10636 3/20 0.34
▸ MAPK1 P28482 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MAP3K7 O43318 1/20 0.33
▸ TAB1 Q15750 1/20 0.33
▸ ATR Q13535 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ BTK Q06187 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
Acetone SCHEMBL3279080 0.82 CHEK1 (0.36) L3MBTL1
SCHEMBL30942632 0.78 CHEK1 (0.42) TDP1KMT2ABTKLMNAJAK3
SCHEMBL9081 0.78 CHEK1 (0.42) TDP1KMT2ABTKLMNAJAK3
SCHEMBL11167998 0.77 CHEK1 (0.35) TDP1BTKJAK3
SCHEMBL8716026 0.77 CHEK1 (0.41) TDP1KMT2ABTKLMNAJAK3
Hydrochloric Acid SCHEMBL11162213 0.77 CHEK1 (0.41) TDP1KMT2ABTKLMNAJAK3
SCHEMBL9798919 0.77 CHEK1 (0.41) TDP1KMT2ABTKLMNAJAK3
Trimethylammonium SCHEMBL8826193 0.75 CHEK1 (0.38) —
SCHEMBL24653331 0.73 AURKA (0.40) L3MBTL1ATRNPSR1BTK
SCHEMBL5070884 0.73 L3MBTL1 (0.36) L3MBTL1MAPTNPSR1POLBTDP1

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
CN-102336754-A Synthetic method of entecavir and intermediate compound thereof TAIZHOU AOXIANG MEDICAL TECHNOLOGY CO LTD 2012-02-01 — — CN disclosed
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