SCHEMBL28615748

SCHEMBL28615748

O=C(c1ccccc1Cl)n1ccc2cc(Cl)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.50
GRM4 Q14833 2/20 0.47
PLAU P00749 1/20 0.46
ELANE P08246 1/20 0.46
RECQL P46063 1/20 0.44
KMT2A Q03164 2/20 0.43
TSHR P16473 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
TNF P01375 1/20 0.41
NOD2 Q9HC29 1/20 0.41
NOD1 Q9Y239 1/20 0.41
CCR2 P41597 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MGLL Q99685 1/20 0.40
GLA P06280 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL29936671 0.86 OXER1 (0.48) OXER1GRM4TSHRRAB9AL3MBTL1
SCHEMBL22955594 0.85 OXER1 (0.50) OXER1GRM4KMT2ATSHRRAB9A
SCHEMBL8447109 0.84 RAB9A (0.60) GRM4PLAUELANEKMT2ATSHR
SCHEMBL29494636 0.84 RAB9A (0.60) GRM4PLAUELANEKMT2ATSHR
SCHEMBL31435522 0.82 RAB9A (0.66) OXER1KMT2ATSHRRAB9AL3MBTL1
SCHEMBL28389613 0.76 GRM4 (0.54) OXER1GRM4KMT2ATSHRL3MBTL1
SCHEMBL2659180 0.76 OXER1 (0.63) OXER1TSHRRAB9AL3MBTL1CCR2
SCHEMBL8132976 0.74 OXER1 (0.57) OXER1TSHRRAB9AL3MBTL1CCR2
SCHEMBL9033370 0.74 OXER1 (0.57) OXER1RXFP1
SCHEMBL28614444 0.74 SLC22A12 (0.62) GRM4PLAUELANEKMT2ATSHR

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-108530335-B Indole compound and preparation method and application thereof 华南农业大学 2021-08-31 CN disclosed