SCHEMBL17622145

SCHEMBL17622145

COc1cc(OC)nc(I)n1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.45
CYP1A2 P05177 1/20 0.43
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
PDE2A O00408 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
XBP1 P17861 1/20 0.34
HTT P42858 1/20 0.34
PAX8 Q06710 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL18005347 0.85 CYP1A2 (0.44) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL15574022 0.84 SMN1; SMN2 (0.41) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL25334623 0.78 KDM4E (0.46) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL14782540 0.77 LMNA (0.52) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL439716 0.74 LMNA (0.59) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL423183 0.74 PDE2A (0.61) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL20733647 0.74 L3MBTL1 (0.52) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL401292 0.72 LMNA (0.54) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL8656719 0.72 LMNA (0.48) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1
SCHEMBL401293 0.72 CYP1A2 (0.48) LMNASMN1; SMN2L3MBTL1CYP1A2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994030-A Preparation method of pyrimidine derivative 4, 6-dichloro-2-pyrimidine carboxylic acid methyl ester 上海毕臣生化科技有限公司 2024-11-22 CN claimed
CN-118994030-A Preparation method of pyrimidine derivative 4, 6-dichloro-2-pyrimidine carboxylic acid methyl ester 上海毕臣生化科技有限公司 2024-11-22 CN disclosed
WO-2016044285-A1 SYNERGISTIC WEED CONTROL FROM APPLICATIONS OF PYRIDINE CARBOXYLIC ACID HERBICIDES AND ALS INHIBITORS DOW AGROSCIENCES LLC (US) 2016-03-24 WO disclosed