SCHEMBL31457765

SCHEMBL31457765

COc1cc2c(cc1Br)OCCC2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.45
MAOA P21397 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GRM5 P41594 4/20 0.42
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
TP53 P04637 1/20 0.40
HTR1A P08908 2/20 0.39
SLC6A4 P31645 2/20 0.39
TSHR P16473 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL23363326 1.00 MAOB (0.45) MAOBMAOAALDH1A1KDM4EGRM5
SCHEMBL16333691 0.94 MAOB (0.45) MAOBMAOAALDH1A1KDM4EGRM5
SCHEMBL12316567 0.88 KDM4E (0.51) MAOBMAOAALDH1A1KDM4EGRM5
SCHEMBL31236980 0.84 HTR1A (0.41) MAOBMAOAALDH1A1KDM4ELMNA
SCHEMBL2775769 0.84 MAOB (0.45) MAOBMAOAALDH1A1KDM4EGRM5
SCHEMBL26729414 0.83 MAPT (0.50) MAOBALDH1A1KDM4ELMNAMAPT
SCHEMBL28454382 0.81 MAOB (0.45) MAOBMAOAALDH1A1KDM4EGRM5
SCHEMBL31015967 0.80 MAOB (0.47) MAOBMAOAALDH1A1GRM5TP53
SCHEMBL25204542 0.80 MAOB (0.47) MAOBMAOAALDH1A1GRM5TP53
SCHEMBL30888618 0.79 MAOB (0.44) MAOBMAOAALDH1A1KDM4EGRM5

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
EP-4524139-A1 IMIDAZOPYRIDAZINE SUBSTITUTED BENZENE RING DERIVATIVE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE Shanghai Simr Biotechnology Co., Ltd. (CN) 2025-03-19 EP disclosed