SCHEMBL24074262

SCHEMBL24074262

C=C(CC)c1cc(NCCCC)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
ABL1 P00519 1/20 0.39
F2R P25116 2/20 0.39
CRBN Q96SW2 1/20 0.37
ALOX5 P09917 1/20 0.36
PTGS2 P35354 1/20 0.36
HTT P42858 1/20 0.36
AR P10275 1/20 0.36
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
PLK1 P53350 3/20 0.35
TLR8 Q9NR97 1/20 0.35
MAPT P10636 1/20 0.35
EPHX2 P34913 1/20 0.35
LMNA P02545 1/20 0.35
MAOA P21397 1/20 0.35
CNR1 P21554 1/20 0.35
DRD4 P21917 1/20 0.35

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
SCHEMBL30338926 0.80 PLK1 (0.49) ALDH1A1F2RALOX5PTGS2CYP1A2
SCHEMBL24074261 0.80 PLK1 (0.49) ALDH1A1F2RALOX5PTGS2CYP1A2
SCHEMBL24074263 0.78 SCN5A (0.47) ALDH1A1F2RALOX5PTGS2CYP1A2
SCHEMBL30339290 0.78 SCN5A (0.47) ALDH1A1F2RALOX5PTGS2CYP1A2
SCHEMBL27417295 0.77 ALDH1A1 (0.47) ALDH1A1ABL1F2RCRBNHTT
SCHEMBL10394666 0.77 ALDH1A1 (0.68) ALDH1A1ABL1HTTARCYP1A2
SCHEMBL26325050 0.74 ALDH1A1 (0.50) ALDH1A1ABL1CRBNHTTAR
SCHEMBL11798071 0.74 ALDH1A1 (0.54) ALDH1A1ABL1HTTARCYP1A2
SCHEMBL11343092 0.72 ABL1 (0.55) ALDH1A1ABL1CYP1A2CYP2C9CYP2C19
SCHEMBL11604188 0.72 ALDH1A1 (0.53) ALDH1A1ABL1ALOX5PTGS2HTT

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-2021239117-A1 MODIFIED PROTEINS AND PROTEIN DEGRADERS CULLGEN (SHANGHAI) , INC. (CN) 2021-12-02 WO disclosed