SCHEMBL27918142

SCHEMBL27918142

C=CC(CCCCCCCCCCCCCCCCC)n1ccnc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 3/20 0.44
▸ CYP17A1 P05093 8/20 0.41
▸ PIK3R1 P27986 2/20 0.34
▸ AKT1 P31749 2/20 0.34
▸ AKT2 P31751 2/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ AKT3 Q9Y243 2/20 0.34
▸ TBXA2R P21731 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33

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
SCHEMBL27685945 1.00 TBXAS1 (0.44) TBXAS1CYP17A1PIK3R1AKT1AKT2
SCHEMBL27915211 1.00 TBXAS1 (0.44) TBXAS1CYP17A1PIK3R1AKT1AKT2
SCHEMBL27908258 1.00 TBXAS1 (0.44) TBXAS1CYP17A1PIK3R1AKT1AKT2
SCHEMBL15657207 1.00 TBXAS1 (0.44) TBXAS1CYP17A1PIK3R1AKT1AKT2
Bromide SCHEMBL29161797 0.98 TBXAS1 (0.42) TBXAS1CYP17A1PIK3R1AKT1AKT2
Bromide SCHEMBL28449861 0.98 TBXAS1 (0.42) TBXAS1CYP17A1PIK3R1AKT1AKT2
Bromide SCHEMBL28440401 0.98 TBXAS1 (0.42) TBXAS1CYP17A1PIK3R1AKT1AKT2
Hydrochloric Acid SCHEMBL28532177 0.98 TBXAS1 (0.42) TBXAS1CYP17A1PIK3R1AKT1AKT2
Hydrochloric Acid SCHEMBL28664085 0.98 TBXAS1 (0.42) TBXAS1CYP17A1PIK3R1AKT1AKT2
Hydrochloric Acid SCHEMBL28205329 0.98 TBXAS1 (0.42) TBXAS1CYP17A1PIK3R1AKT1AKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113262770-B Carbon quantum dot and precursor jointly-bonded silica gel chromatographic packing and application thereof 中国科学院兰州化学物理研究所 2022-07-22 — — CN claimed
CN-113262770-A Carbon quantum dot and precursor co-bonded silica gel chromatographic packing and application thereof 中国科学院兰州化学物理研究所 2021-08-17 — — CN claimed
CN-113262770-B Carbon quantum dot and precursor jointly-bonded silica gel chromatographic packing and application thereof 中国科学院兰州化学物理研究所 2022-07-22 — — CN disclosed
CN-113262770-A Carbon quantum dot and precursor co-bonded silica gel chromatographic packing and application thereof 中国科学院兰州化学物理研究所 2021-08-17 — — CN disclosed
CN-103074072-A Ionic liquid crystal containing rare earth metal and preparation method thereof UNIV SICHUAN 2013-05-01 — — CN disclosed
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