SCHEMBL22282976

SCHEMBL22282976

Cc1nc(C2CC2)ncc1-c1ccccc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 2/20 0.33
SUZ12 Q15022 2/20 0.33
EZH2 Q15910 2/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
RAB9A P51151 3/20 0.33
MAPK1 P28482 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33
HDAC4 P56524 1/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IGF1R P08069 4/20 0.32
RBBP4 Q09028 1/20 0.32
AEBP2 Q6ZN18 1/20 0.32
HSD11B1 P28845 1/20 0.32

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
SCHEMBL19813873 0.82 ABL1 (0.44) L3MBTL1HSD11B1MAPTABL1KMT2A
SCHEMBL30289567 0.77 PDE10A (0.36) IGF1RPDE10AHDAC9
SCHEMBL17841500 0.77 PDE10A (0.36) IGF1RPDE10AHDAC9
SCHEMBL19813846 0.73 TSHR (0.39) GABRG2GABRB3GABRA5MAPK1SMN1; SMN2
SCHEMBL21585740 0.73 FGFR1 (0.38) ABL1PDE10A
SCHEMBL19813802 0.73 HPGDS (0.36) GABRG2GABRB3GABRA5MAPK1HDAC4
SCHEMBL22282974 0.72 CYP1A2 (0.38) RAB9AMAPK1SMN1; SMN2NPC1TP53
SCHEMBL22282975 0.72 HSD11B1 (0.36) RAB9AMAPK1SMN1; SMN2NPC1TP53
SCHEMBL19302651 0.69 PDE10A (0.39) NFKB1NFKB2RELAKDM4EPDE10A
SCHEMBL21585736 0.68 PDE10A (0.39) EEDSUZ12EZH2MAPK1SMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3490985-B1 HERBICIDAL PYRIMIDINE COMPOUNDS BASF SE (DE) 2020-08-05 EP claimed
CN-109476647-A The pyrimidine compound of weeding 巴斯夫欧洲公司 2019-03-15 CN claimed
CN-109476647-A The pyrimidine compound of weeding 巴斯夫欧洲公司 2019-03-15 CN disclosed