Pyrene

Pyrene

SCHEMBL28909258

Cc1cc2ccccc2oc1=O.c1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.56
HPGD P15428 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TYR P14679 1/20 0.51
DAO P14920 1/20 0.51
AKR1B1 P15121 1/20 0.51
POLB P06746 1/20 0.51
MAOB P27338 7/20 0.50
KDM4E B2RXH2 5/20 0.50
MAOA P21397 4/20 0.50
CA12 O43570 3/20 0.50
CA9 Q16790 3/20 0.50
CYP1A2 P05177 2/20 0.50
NT5E P21589 1/20 0.50
ALDH1A1 P00352 4/20 0.49
RAB9A P51151 1/20 0.49
CA1 P00915 2/20 0.47
CA3 P07451 1/20 0.47
TSHR P16473 1/20 0.47
CA4 P22748 1/20 0.47

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
Pyrene SCHEMBL28084716 0.92 CA12 (0.59) HSD17B3HPGDSMN1; SMN2TYRDAO
SCHEMBL30023 0.91 HPGD (0.60) HSD17B3HPGDSMN1; SMN2TYRDAO
SCHEMBL31418947 0.91 HPGD (0.60) HSD17B3HPGDSMN1; SMN2TYRDAO
Ammonia Solution, Strong SCHEMBL27428848 0.89 HPGD (0.58) HSD17B3HPGDSMN1; SMN2TYRDAO
Hydrochloric Acid SCHEMBL2291019 0.89 HPGD (0.58) HSD17B3HPGDSMN1; SMN2TYRDAO
Bicarbonate SCHEMBL8424367 0.84 MAOB (0.62) HSD17B3HPGDSMN1; SMN2TYRDAO
Phosphonic Acid SCHEMBL28608612 0.83 HPGD (0.56) HSD17B3HPGDSMN1; SMN2TYRDAO
Acetic Acid SCHEMBL1698232 0.83 MAOB (0.63) HSD17B3HPGDSMN1; SMN2TYRDAO
Diethylamine SCHEMBL9359210 0.80 MAOB (0.55) HSD17B3HPGDSMN1; SMN2TYRDAO
SCHEMBL9098637 0.80 POLB (0.57) HSD17B3HPGDSMN1; SMN2TYRDAO

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
CN-115461143-A Compositions, methods, and systems for sample processing 10X基因组学有限公司 2022-12-09 CN disclosed