SCHEMBL11249422

SCHEMBL11249422

CC(Br)c1cccc(Oc2ccccc2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.40
F10 P00742 4/20 0.40
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
ST14 Q9Y5Y6 1/20 0.40
POLB P06746 1/20 0.40
MAP4K4 O95819 1/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP2C19 P33261 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL17693892 0.86 F2 (0.42) F2F10PRSS1PRSS2PRSS3
SCHEMBL9270503 0.83 F2 (0.44) F2F10PRSS1PRSS2PRSS3
SCHEMBL11387393 0.83 F2 (0.40) F2F10PRSS1PRSS2PRSS3
SCHEMBL10548446 0.83 F2 (0.44) F2F10PRSS1PRSS2PRSS3
SCHEMBL9818071 0.83 F2 (0.44) F2F10PRSS1PRSS2PRSS3
SCHEMBL11404509 0.82 TRPA1 (0.42) F2F10PRSS1PRSS2PRSS3
SCHEMBL11387980 0.81 HTT (0.40) F2F10PRSS1PRSS2PRSS3
SCHEMBL8972394 0.80 F2 (0.43) F2F10PRSS1PRSS2PRSS3
SCHEMBL8373992 0.80 POLB (0.44) F2F10PRSS1PRSS2PRSS3
SCHEMBL2521152 0.79 LTA4H (0.58) F2F10PRSS1PRSS2PRSS3

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
US-4323574-A INSECTICIDES, PESTICIDES ZOECON CORPORATION (US) 1982-04-06 US disclosed
US-4285954-A INSECTICIDES AND MITICIDES ZOECON CORPORATION (US) 1981-08-25 US disclosed