SCHEMBL8129042

SCHEMBL8129042

Cn1cc(CC2CCN(Cc3ccccc3)C2)c2cc(/C=C/S(N)(=O)=O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.45
ACHE P22303 5/20 0.45
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCD Q05655 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 1/20 0.39
CAMK2D Q13557 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
BRD4 O60885 1/20 0.38
HTR6 P50406 3/20 0.38
PTPN1 P18031 1/20 0.38
MAOA P21397 2/20 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
SCHEMBL8129045 1.00 BCHE (0.45) BCHEACHEKMT2AMEN1USP2
SCHEMBL8132943 0.86 BCHE (0.49) BCHEACHEKMT2AMEN1USP2
SCHEMBL8132940 0.86 BCHE (0.49) BCHEACHEKMT2AMEN1USP2
SCHEMBL8133152 0.82 HTR2A (0.48) BCHEACHEMAOAMAOBDRD2
SCHEMBL8133156 0.82 HTR2A (0.48) BCHEACHEMAOAMAOBDRD2
SCHEMBL8119499 0.82 BCHE (0.46) BCHEACHEKMT2AMEN1USP2
SCHEMBL8119111 0.80 BCHE (0.48) BCHEACHEALDH1A1PRKCGPRKCB
SCHEMBL8124392 0.79 BCHE (0.45) BCHEACHEKMT2AMEN1USP2
SCHEMBL8124394 0.79 BCHE (0.51) BCHEACHEKMT2AMEN1USP2
SCHEMBL8131620 0.79 ACHE (0.49) BCHEACHEPRKCGPRKCBPRKCA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0610134-B1 Indole derivatives as 5-HT1-like agonists ADIR (FR) 2000-04-05 EP disclosed
US-5348968-A Migraines ADIR ET COMPAGNIE (FR) 1994-09-20 US disclosed
EP-0610134-A1 Indole, indazole and benzisoxazole derivatives as 5-HT1-like agonists ADIR ET COMPAGNIE (FR) 1994-08-10 EP disclosed