SCHEMBL21538041

SCHEMBL21538041

CC(C)C(=O)Nc1nc2c(ncn2[C@H]2CC(OCN=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.75
▸ POLA1 P09884 1/20 0.45
▸ TAS1R3 Q7RTX0 1/20 0.45
▸ TAS1R1 Q7RTX1 1/20 0.45
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ P2RY1 P47900 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ALB P02768 1/20 0.36
▸ TK1 P04183 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ CYP2D6 P10635 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
SCHEMBL25139386 0.92 KDM4E (0.62) KDM4EPOLA1TAS1R3TAS1R1POLB
SCHEMBL21538161 0.90 KDM4E (0.60) KDM4EPOLA1TAS1R3TAS1R1POLB
SCHEMBL21538044 0.89 KDM4E (0.81) KDM4EPOLA1TAS1R3TAS1R1POLB
SCHEMBL30057780 0.85 KDM4E (1.00) KDM4EPOLA1TAS1R3TAS1R1POLB
SCHEMBL23225351 0.85 KDM4E (0.77) KDM4EPOLA1TAS1R3TAS1R1POLB
SCHEMBL19662704 0.84 KDM4E (0.75) KDM4EPOLA1TAS1R3TAS1R1POLB
SCHEMBL19662708 0.84 KDM4E (0.75) KDM4EPOLA1TAS1R3TAS1R1POLB
SCHEMBL21546129 0.83 POLB (0.54) KDM4EPOLBLMNA
SCHEMBL30523045 0.83 POLB (0.54) KDM4EPOLBLMNA
SCHEMBL22315215 0.83 KDM4E (0.74) KDM4EPOLA1TAS1R3TAS1R1POLB

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
US-20190330693-A1 SINGLE FLUORESCENT DYE-BASED SEQUENCING METHOD Qingdao MGI Tech Co., Ltd. (CN) 2019-10-31 — — US disclosed
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