SCHEMBL5178578

SCHEMBL5178578

COC(=Nc1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ NOS1 P29475 4/20 0.46
▸ NOS3 P29474 3/20 0.46
▸ MAPT P10636 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CASP3 P42574 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ HTR3E A5X5Y0 2/20 0.43
▸ HTR3B O95264 2/20 0.43
▸ HTR3A P46098 2/20 0.43
▸ HTR3D Q70Z44 2/20 0.43
▸ HTR3C Q8WXA8 2/20 0.43
▸ SLC22A2 O15244 1/20 0.43
▸ SLC22A1 O15245 1/20 0.43
▸ SLC22A3 O75751 1/20 0.43

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
SCHEMBL18100417 1.00 KMT2A (0.48) KMT2AMEN1NOS1NOS3MAPT
SCHEMBL18100295 0.96 MAPT (0.48) KMT2AMEN1NOS1NOS3MAPT
SCHEMBL18100418 0.96 TSHR (0.45) KMT2AMEN1NOS1NOS3MAPT
SCHEMBL15191710 0.92 MAPT (0.56) KMT2AMEN1NOS1NOS3MAPT
SCHEMBL18100310 0.90 NOS1 (0.45) KMT2AMEN1NOS1NOS3MAPT
SCHEMBL18100300 0.90 MAPT (0.44) KMT2AMEN1NOS1NOS3MAPT
SCHEMBL18100359 0.89 TSHR (0.43) KMT2AMEN1NOS1NOS3MAPT
SCHEMBL18100424 0.89 NOS1 (0.45) KMT2AMEN1NOS1NOS3MAPT
SCHEMBL18100314 0.89 NOS1 (0.45) KMT2AMEN1NOS1NOS3MAPT
SCHEMBL3663895 0.88 RAB9A (0.40) KMT2AMEN1NOS1NOS3MAPT

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
EP-1268699-B1 ACRYLIC ADHESIVE COMPOSITIONS FOR POLARIZING FILM AND THE POLARIZER FILM USING THE SAME LG CHEMICAL LTD (KR) 2007-06-13 — — EP claimed
CN-111320644-B Method for preparing boric acid ester through hydroboration reaction 苏州大学 2022-04-15 — — CN disclosed
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