SCHEMBL27276830

SCHEMBL27276830

CC(=O)N1CCC(CC(=O)C2CNc3ccccc32)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 3/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
AKR1C3 P42330 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
ACKR3 P25106 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
F2 P00734 2/20 0.37

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
SCHEMBL5705156 0.76 ALDH1A1 (0.44) F12ALDH1A1POLBKDM4EBRD4
SCHEMBL13997455 0.71 KCNH2 (0.41) F12ALDH1A1ACKR3PRMT5WDR77
SCHEMBL1520745 0.69 EGFR (0.42) ALDH1A1CYP2C19ACKR3PRMT5WDR77
SCHEMBL27862075 0.69 ALDH1A1 (0.46) F12ALDH1A1MAPTHPGDACKR3
SCHEMBL13871920 0.68 CES2 (0.40) ALDH1A1KDM4EMEN1MAPTHPGD
SCHEMBL3749720 0.67 ALDH1A1 (0.57) ALDH1A1MAPTPRMT5WDR77F2
SCHEMBL5800011 0.67 ALDH1A1 (0.57) ALDH1A1MAPTPRMT5WDR77F2
SCHEMBL3026559 0.67 CYP2C9 (0.67) ALDH1A1POLBMEN1LMNACYP2C9
SCHEMBL27362318 0.67 KCNH2 (0.42) F12ALDH1A1HPGDACKR3PRMT5
SCHEMBL859610 0.66 KCNH2 (0.44) F12ALDH1A1ACKR3PRMT5WDR77

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1017707-B PROCESS FOR PREPARATION OF NEW THIAZOLE COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 1992-08-05 CN disclosed
CN-86108205-A New thiazolium compounds and preparation method thereof and their pharmaceutical composition 1987-06-17 CN disclosed