Pyrrole

Pyrrole

SCHEMBL28853016

CC1CCc2c(ccc3c2ccc2ccccc23)C1.c1cc[nH]c1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 4/20 0.40
HTR1A P08908 3/20 0.40
HPRT1 P00492 1/20 0.37
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ACHE P22303 2/20 0.35
ANPEP P15144 1/20 0.35
CYP1A2 P05177 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
MAPT P10636 1/20 0.35
SLC6A2 P23975 1/20 0.35
AHR P35869 1/20 0.35
HRH3 Q9Y5N1 2/20 0.35
DRD2 P14416 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL27574172 0.92 HTR7 (0.45) HTR7HTR1AHPRT1POLBALDH1A1
Fluoride SCHEMBL27587185 0.90 HTR7 (0.44) HTR7HTR1AHPRT1POLBALDH1A1
Pyrrole SCHEMBL28093231 0.90 ALDH1A1 (0.39) HPRT1ALDH1A1KDM4EACHECYP1A2
Methacrylic Acid SCHEMBL28226348 0.89 CYP1A2 (0.34) HTR7HTR1AALDH1A1KDM4ECYP1A2
SCHEMBL29084579 0.84 HTR7 (0.48) HTR7HTR1APOLBALDH1A1KDM4E
Furan SCHEMBL27321811 0.84 HTR7 (0.40) HTR7HTR1AHPRT1POLBALDH1A1
SCHEMBL28751587 0.83 HTR7 (0.39) HTR7HTR1AHPRT1POLBALDH1A1
Furan SCHEMBL28225333 0.82 HTR7 (0.38) HTR7HTR1AHPRT1POLBALDH1A1
Furan SCHEMBL28842415 0.81 HTR7 (0.38) HTR7HTR1AHPRT1POLBALDH1A1
SCHEMBL27289372 0.80 HPRT1 (0.44) HTR7HTR1AHPRT1ALDH1A1KDM4E

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-107556255-A A kind of organic amine modified melamine polyphosphate and preparation method thereof 东华大学 2018-01-09 CN disclosed
CN-107459492-A A kind of organically-modified melamine polyphosphate and preparation method thereof 东华大学 2017-12-12 CN disclosed