SCHEMBL27733477

SCHEMBL27733477

CC(O)(c1cccc(Br)c1CN)c1nccn1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 10/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRK1 P41145 7/20 0.37
ALDH1A1 P00352 1/20 0.37
HSP90AA1 P07900 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
KLK6 Q92876 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
OPRM1 P35372 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
SCHEMBL697954 0.85 MEN1 (0.39) OPRD1MEN1KMT2AOPRK1ALDH1A1
SCHEMBL27733620 0.85 OPRD1 (0.39) OPRD1MEN1KMT2AOPRK1ALDH1A1
SCHEMBL697949 0.82 KMT2A (0.37) OPRD1MEN1KMT2AOPRK1ALDH1A1
SCHEMBL27733466 0.81 OPRD1 (0.39) OPRD1MEN1KMT2AOPRK1ALDH1A1
SCHEMBL697554 0.81 MEN1 (0.39) OPRD1MEN1KMT2AOPRK1ALDH1A1
SCHEMBL11345241 0.79 MEN1 (0.43) OPRD1MEN1KMT2AOPRK1ALDH1A1
SCHEMBL696963 0.78 MEN1 (0.41) OPRD1MEN1KMT2AOPRK1ALDH1A1
SCHEMBL696264 0.76 TP53 (0.42) OPRD1MEN1KMT2AOPRK1ALDH1A1
SCHEMBL697374 0.76 MEN1 (0.39) OPRD1MEN1KMT2AOPRK1ALDH1A1
SCHEMBL27753890 0.76 KMT2A (0.38) OPRD1MEN1KMT2AOPRK1ALDH1A1

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-101370786-B Substituted imidazoles and their use as pesticides PFIZER 2012-01-11 CN disclosed
CN-101370786-A Substituted imidazoles and their use as pesticides PFIZER LTD (GB) 2009-02-18 CN disclosed