SCHEMBL29133041

SCHEMBL29133041

COCc1nnc(-c2ccc(Br)c(OC)c2)o1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.52
HPGD P15428 7/20 0.52
ALDH1A1 P00352 6/20 0.52
HSD17B10 Q99714 6/20 0.52
MAPT P10636 6/20 0.52
MAPK1 P28482 5/20 0.52
TSHR P16473 4/20 0.52
LMNA P02545 3/20 0.52
POLB P06746 3/20 0.52
USP2 O75604 1/20 0.52
RXFP1 Q9HBX9 1/20 0.50
PRNP P04156 1/20 0.48
ALPG P10696 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
GAA P10253 1/20 0.46
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL29133064 0.84 NOTUM (0.43) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL30622155 0.80 KDM4E (0.52) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL15272014 0.80 KDM4E (0.52) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL5115763 0.79 MAPT (0.58) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL2088807 0.76 MAPT (0.69) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL29133115 0.75 HDAC6 (0.48) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL2090020 0.74 NPC1 (0.57) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL29133063 0.74 ALDH1A1 (0.52) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL30622193 0.74 TLR8 (0.43) KDM4EHPGDALDH1A1HSD17B10MAPT
SCHEMBL2096968 0.73 ALDH1A1 (0.60) KDM4EHPGDALDH1A1HSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117088884-A Imidazopyridazine derivatives as GABAA receptor modulators, pharmaceutical compositions and uses 上海赛默罗德生物科技有限公司 2023-11-21 CN disclosed