SCHEMBL8768185

SCHEMBL8768185

O=C(O)CN1CNc2c1nc[nH]c2=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 5/20 0.54
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.33
CYP2C19 P33261 2/20 0.31
POLB P06746 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GABRR1 P24046 1/20 0.31
KDM4A O75164 1/20 0.30
KDM4B O94953 1/20 0.30
KDM5C P41229 1/20 0.30
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL7375871 0.86 HPRT1 (0.58) HPRT1KDM4ETDP1TSHRPOLB
SCHEMBL2913487 0.78 HPRT1 (0.59) HPRT1KMT2AKDM4AKDM4BKDM5C
SCHEMBL7061691 0.75 HPRT1 (0.59) HPRT1ALDH1A1TSHRHSD17B10KDM4A
SCHEMBL1672180 0.72 HPRT1 (0.56) HPRT1HSD17B10
SCHEMBL930873 0.72 HPRT1 (0.47) HPRT1ALDH1A1TDP1POLBCYP2C9
SCHEMBL21383159 0.71 HPRT1 (0.48) HPRT1ALDH1A1POLBKDM4AKDM4B
SCHEMBL7451801 0.71 HPRT1 (0.45) HPRT1ALDH1A1TSHRKDM4AKDM4B
Hydrochloric Acid SCHEMBL6935179 0.71 HPRT1 (0.46) HPRT1ALDH1A1TDP1POLBCYP2C9
Water SCHEMBL6931313 0.71 HPRT1 (0.46) HPRT1ALDH1A1TDP1POLBCYP2C9
SCHEMBL7405147 0.70 HPRT1 (0.42) HPRT1ALDH1A1KDM4ECYP2D6HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792283-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1997-09-03 EP disclosed
WO-1996015143-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1996-05-23 WO disclosed