SCHEMBL25329977

SCHEMBL25329977

N#Cc1ccc(N2CCC(c3cc[c]cc3)CC2)cc1C1CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ NSD2 O96028 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ CASP6 P55212 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ FAAH O00519 1/20 0.36
▸ IP6K1 Q92551 1/20 0.35
▸ HTR2A P28223 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ TDO2 P48775 1/20 0.33
▸ FASN P49327 2/20 0.33
▸ AOC3 Q16853 2/20 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
SCHEMBL25329081 0.88 AR (0.40) ARKDM4EMAPTNSD2LMNA
SCHEMBL25328874 0.86 AR (0.60) AR
SCHEMBL25330105 0.83 AR (0.39) ARKDM4EMAPTNSD2LMNA
SCHEMBL25330168 0.83 AR (0.39) ARKDM4EMAPTNSD2LMNA
SCHEMBL25329415 0.83 AR (0.42) ARMAPTHTR2A
SCHEMBL25330058 0.81 AR (0.50) AR
SCHEMBL25329752 0.81 AR (0.36) ARKDM4EMAPTNSD2LMNA
SCHEMBL25329713 0.78 HRH3 (0.40) FAAHHTR2A
SCHEMBL25428287 0.78 HRH3 (0.42) ARFAAHHTR2AAOC3
SCHEMBL25329756 0.76 AR (0.48) AR

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-2023139199-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER ASTRAZENECA AB (SE) 2023-07-27 — — WO disclosed
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