SCHEMBL7543871

SCHEMBL7543871

CCCCNc1nc(N)nc(N2CCOCC2)n1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
ALDH1A1 P00352 2/20 0.57
TP53 P04637 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.53
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 1/20 0.50
RAD52 P43351 1/20 0.50
TLR7 Q9NYK1 3/20 0.49
TLR8 Q9NR97 3/20 0.49
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.47
ALOX15 P16050 1/20 0.46

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
SCHEMBL8054058 0.91 TSHR (0.68) TSHRALDH1A1TP53SMN1; SMN2MEN1
SCHEMBL14725040 0.86 TSHR (0.61) TSHRALDH1A1TP53SMN1; SMN2MEN1
SCHEMBL7774828 0.86 LMNA (0.65) TSHRSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL8057246 0.86 TSHR (0.64) TSHRALDH1A1TP53SMN1; SMN2MEN1
SCHEMBL8962400 0.83 GBA1 (0.60) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL30784991 0.80 KDM4E (0.54) TSHRALDH1A1LMNAKDM4EHTT
SCHEMBL30740023 0.80 HTT (0.56) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL8885835 0.78 TSHR (0.69) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9913727 0.77 LMNA (0.75) TSHRALDH1A1TP53SMN1; SMN2MEN1
SCHEMBL11931979 0.77 TLR8 (0.59) TSHRALDH1A1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711760-B1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2002-05-15 EP disclosed
US-6130332-A USING A GROUP 8 METAL CATALYST AND ALDEHYDES OR KETONE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-10 US disclosed
US-5792867-A Method of alkylating of triazine derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 US disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 EP disclosed
EP-0711760-A1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-15 EP disclosed