SCHEMBL31499757

SCHEMBL31499757

O=C(Cn1c(C2CC2)cc(=O)n2nc(Br)nc12)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.40
▸ KDM4E B2RXH2 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ WRN Q14191 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPK9 P45984 2/20 0.36

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
SCHEMBL31499555 0.97 ACHE (0.43) ACHEALDH1A1KDM4EPOLBTDP1
SCHEMBL25037269 0.87 KDM4E (0.43) KDM4EPOLBMAPTLMNAKMT2A
SCHEMBL30037179 0.84 ACHE (0.44) ACHEALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL25035250 0.84 ACHE (0.44) ACHEALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL31499596 0.81 WRN (0.41) ACHEALDH1A1KDM4EPOLBTDP1
SCHEMBL31499943 0.78 MDM2 (0.41) ACHEALDH1A1KDM4EPOLBTDP1
SCHEMBL31499688 0.75 WRN (0.46) ACHEALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL31082145 0.74 ACHE (0.40) ACHEALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL31081562 0.74 ACHE (0.40) ACHEALDH1A1KDM4EPOLBL3MBTL1
SCHEMBL31384779 0.74 WRN (0.54) ACHEALDH1A1KDM4EPOLBL3MBTL1

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
WO-2025087274-A1 AZABICYCLO DERIVATIVE AND PREPARATION METHOD THEREFOR, AND USE 浙江海正药业股份有限公司 2025-05-01 — — WO disclosed
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