SCHEMBL27942653

SCHEMBL27942653

O=C(O)Cc1c[nH]c2ccc(F)c(F)c12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 2/20 0.65
▸ ALDH1A1 P00352 3/20 0.56
▸ KDM4E B2RXH2 3/20 0.56
▸ GAA P10253 2/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ THRB P10828 1/20 0.56
▸ DNMT1 P26358 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ CASP6 P55212 1/20 0.56
▸ MCL1 Q07820 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ TSHR P16473 2/20 0.55
▸ HPGD P15428 3/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ GLA P06280 1/20 0.49

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
SCHEMBL1163239 0.86 ALDH1A1 (0.59) GPR84ALDH1A1KDM4EGAAMEN1
SCHEMBL31291685 0.81 HTR1A (0.60) GPR84ALDH1A1KDM4EGAAMEN1
SCHEMBL4206904 0.81 ALDH1A1 (0.69) GPR84ALDH1A1KDM4EGAAMEN1
SCHEMBL31730842 0.78 GPR84 (0.56) GPR84ALDH1A1KDM4EMEN1MAPT
SCHEMBL9755961 0.75 ALDH1A1 (0.58) GPR84ALDH1A1KDM4EGAAMEN1
SCHEMBL25423399 0.75 GPR84 (0.71) GPR84MAPTKMT2ARECQLTSHR
SCHEMBL16597465 0.75 GPR84 (0.51) GPR84KDM4EHTR2AHTR6
SCHEMBL31730855 0.75 GPR84 (0.71) GPR84MAPTKMT2ARECQLTSHR
SCHEMBL25302584 0.74 MTNR1A (0.61) GPR84ALDH1A1KDM4EMEN1MAPT
SCHEMBL4609508 0.73 ALDH1A1 (0.55) GPR84ALDH1A1KDM4EGAAMEN1

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-103621505-A Application of halogenated indole-3-acetic acid as herbicide UNIV SOUTHEAST 2014-03-12 — — CN disclosed
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