SCHEMBL31499630

SCHEMBL31499630

CCc1c(N2CCNCC2)c(=O)n2nc(Br)cc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.49
▸ ACHE P22303 1/20 0.42
▸ ALDH1A1 P00352 6/20 0.38
▸ TSHR P16473 2/20 0.37
▸ KDM4E B2RXH2 1/20 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
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ KMT2A Q03164 2/20 0.34
▸ RXFP1 Q9HBX9 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MAPK9 P45984 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ GAA P10253 1/20 0.33

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
SCHEMBL31384779 0.89 WRN (0.54) WRNACHEALDH1A1TSHRKDM4E
Hydrochloric Acid SCHEMBL31270598 0.88 WRN (0.53) WRNACHEALDH1A1TSHRKDM4E
SCHEMBL31499895 0.87 WRN (0.50) WRNACHEALDH1A1TSHRKDM4E
SCHEMBL31387177 0.85 WRN (0.53) WRNACHEALDH1A1TSHRKDM4E
SCHEMBL31394098 0.85 WRN (0.53) WRNACHEALDH1A1TSHRKDM4E
SCHEMBL31499796 0.85 WRN (0.45) WRNACHEALDH1A1TSHRKDM4E
SCHEMBL30984358 0.83 WRN (0.53) WRNACHEALDH1A1TSHRKDM4E
SCHEMBL31499764 0.83 WRN (0.43) WRNACHEALDH1A1TSHRKDM4E
SCHEMBL25037113 0.83 WRN (0.56) WRNACHEALDH1A1TSHRKDM4E
SCHEMBL31394157 0.82 WRN (0.58) WRNACHEALDH1A1TSHRKDM4E

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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