SCHEMBL30447652

SCHEMBL30447652

[P]c1c[nH]c2ccc(Br)c(Cl)c12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
HPGD P15428 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
ALOX12 P18054 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
IDE P14735 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
F7 P08709 1/20 0.30

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
SCHEMBL153944 0.80 ALDH1A1 (0.37) CYP2A6ALDH1A1MAPTHPGDMEN1
Phosphine SCHEMBL27314409 0.78 ALDH1A1 (0.36) CYP2A6ALDH1A1MAPTHPGDMEN1
SCHEMBL30874715 0.76 HTR1A (0.34) CYP2A6ALDH1A1MAPTHPGDMEN1
SCHEMBL27789270 0.76 CYP2A6 (0.33) CYP2A6ALDH1A1MAPTHPGDMEN1
SCHEMBL12588447 0.76 P2RX7 (0.40) CYP2A6ALDH1A1MAPTHPGDMEN1
SCHEMBL8996720 0.76 CYP2A6 (0.33) CYP2A6ALDH1A1MAPTHPGDMEN1
SCHEMBL5268855 0.76 ALDH1A1 (0.35) CYP2A6ALDH1A1MAPTHPGDMEN1
SCHEMBL31672708 0.74 PBRM1 (0.46) ALDH1A1HPGDMEN1KMT2AHTR1A
Phosphoric Acid SCHEMBL435169 0.73 ALDH1A1 (0.33) CYP2A6ALDH1A1MAPTHPGDMEN1
Sulfuric Acid SCHEMBL4223494 0.73 CA1 (0.34) CYP2A6ALDH1A1MAPTHPGDMEN1

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
WO-2023100910-A1 METHOD FOR MEASURING ELASTASE 1 IN FECES 株式会社LSIメディエンス 2023-06-08 WO disclosed