SCHEMBL8325387

SCHEMBL8325387

Cc1c[nH]c(=O)nc1-n1cncn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2C P28335 1/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2A6 P11509 1/20 0.30
POLB P06746 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
SCHEMBL9070284 0.74 HRH4 (0.33) ALDH1A1KDM4EPOLB
SCHEMBL5709843 0.67 KDM4E (0.39) ALDH1A1MAPTKDM4ESMN1; SMN2CYP3A4
SCHEMBL8330832 0.67 ADORA2A (0.38) ADORA2AADORA1KDM4EKCNJ5KCNJ3
SCHEMBL4016272 0.64
SCHEMBL8671760 0.64 TDP1 (0.45) ADORA2AADORA1ALDH1A1MAPTKDM4E
SCHEMBL18649540 0.63 CYP2A6 (0.38) ADORA2AADORA1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8329276 0.62 ADORA2A (0.35) ADORA2AADORA1KDM4EKCNJ5KCNJ3
SCHEMBL1896687 0.62 MAT2A (0.37) ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15743183 0.62 MAT2A (0.37)
SCHEMBL28045824 0.61 CYP2C9 (0.41) ADORA2AADORA1ALDH1A1KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016043661-A1 MODIFIED PEPTIDE NUCLEIC ACIDS AND THEIR USE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2016-03-24 WO disclosed
EP-0544210-B1 Process for the preparation of in position 5 substituted cytosines and of other 4,5-disubstituted pyrimidin-2(1H)-ones, also the forth-issuing intermediates HOECHST AG (DE) 1999-11-03 EP disclosed
US-5631259-A PURINE BASE DERIVATIVES FOR NUCLEOSIDES HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-20 US disclosed
US-5359067-A Process for the preparation of 5-substituted cytosines and other 4,5-disubstituted pyrimidin-2(1H)-ones, and intermediates arising in the course of this HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-25 US disclosed
EP-0544210-A1 Process for the preparation of in position 5 substituted cytosines and of other 4,5-disubstituted pyrimidin-2(1H)-ones, also the forth-issuing intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-02 EP disclosed
EP-0521463-A2 Substituted cyclic cycloalkyltriols, process, intermediates for their preparation and their use as antiviral and antiparasitic agents HOECHST AKTIENGESELLSCHAFT (DE) 1993-01-07 EP disclosed