SCHEMBL30424014

SCHEMBL30424014

COc1ccc(Cc2cc(I)ccc2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.47
LTA4H P09960 1/20 0.44
ALDH1A1 P00352 4/20 0.44
CYP2D6 P10635 1/20 0.44
ATM Q13315 1/20 0.44
MPO P05164 1/20 0.44
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.41
IDO1 P14902 2/20 0.41
AGXT P21549 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CYP3A4 P08684 1/20 0.40

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
SCHEMBL12110695 0.83 TDP1 (0.50) LTA4HALDH1A1CYP2D6ATMMPO
SCHEMBL3771475 0.82 APP (0.49) APPLTA4HLMNAIDO1
SCHEMBL9657960 0.82 LTA4H (0.46) LTA4HALDH1A1CYP2D6ATMMPO
SCHEMBL15303335 0.81 SLC5A2 (0.50) APPLTA4HALDH1A1LMNA
SCHEMBL30424499 0.81 SLC5A2 (0.50) APPLTA4HALDH1A1LMNA
SCHEMBL1011506 0.81 APP (0.47) APPLTA4HMPOIDO1
SCHEMBL17926259 0.78 BCL2 (0.44) CYP2D6MPOHPGDCYP3A4
SCHEMBL5188864 0.77 LTA4H (0.56) LTA4HALDH1A1POLBCYP3A4
SCHEMBL4314726 0.77 APP (0.68) APPLTA4HALDH1A1CYP2D6ATM
SCHEMBL6160744 0.76 LTA4H (0.50) LTA4HALDH1A1CYP2D6ATMMPO

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-116239553-A Preparation method of englitz intermediate 山东新时代药业有限公司 2023-06-09 CN disclosed
CN-116239552-A Efficient preparation method of englitz intermediate 山东新时代药业有限公司 2023-06-09 CN disclosed