SCHEMBL28498147

SCHEMBL28498147

O=C(ONC1CC1)N1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.46
HPGD P15428 3/20 0.42
ALDH1A1 P00352 6/20 0.41
POLB P06746 3/20 0.41
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD11B1 P28845 1/20 0.41
EPHX1 P07099 1/20 0.38
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL27689581 0.94 HTT (0.53) HTTHPGDALDH1A1POLBTHRB
SCHEMBL29983521 0.85 EPHX1 (0.41) HTTHPGDALDH1A1POLBTHRB
SCHEMBL17560438 0.74 HTT (0.48) HTTHPGDALDH1A1POLBTHRB
SCHEMBL29124849 0.72 ALDH1A1 (0.45) HTTHPGDALDH1A1POLBTHRB
SCHEMBL3399580 0.72 ALDH1A1 (0.45) HTTHPGDALDH1A1POLBTHRB
SCHEMBL17560382 0.72 ALDH1A1 (0.41) HTTHPGDALDH1A1POLBHSD11B1
SCHEMBL17560371 0.71 ALDH1A1 (0.49) HTTHPGDALDH1A1POLBHSD11B1
SCHEMBL26614382 0.70 ALDH1A1 (0.42) HTTHPGDALDH1A1POLBHSD11B1
SCHEMBL17560402 0.69 ALDH1A1 (0.38) HTTHPGDALDH1A1POLBHSD11B1
SCHEMBL27857071 0.69 ALDH1A1 (0.42) HTTHPGDALDH1A1POLBTHRB

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-110511209-B Indole carboxamide compounds useful as kinase inhibitors 百时美施贵宝公司 2022-07-05 CN disclosed
CN-107108583-B Indole carboxamide compounds useful as kinase inhibitors 百时美施贵宝公司 2020-11-13 CN disclosed