SCHEMBL16857960

SCHEMBL16857960

CCOc1ccccc1C1(N)C(=O)N(S(=O)(=O)c2sccc2OC)c2ccc(OC)cc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 14/20 0.44
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 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
SCHEMBL16857959 0.87 AVPR1B (0.41) AVPR1BUSP2ALDH1A1LMNAHTT
SCHEMBL16857971 0.87 MAPT (0.46) AVPR1BALDH1A1LMNAGAAMAPT
SCHEMBL5578374 0.82 MAPK1 (0.48) AVPR1BLMNAL3MBTL1KMT2AGAA
SCHEMBL5578286 0.82 AVPR1B (0.45) AVPR1BNPC1RAB9AUSP2ALDH1A1
SCHEMBL5578463 0.79 AVPR1B (0.59) AVPR1BALDH1A1LMNAALOX15GAA
SCHEMBL5578430 0.79 LMNA (0.43) AVPR1BALDH1A1LMNAKMT2AGAA
SCHEMBL7471393 0.75 AVPR1B (0.49) AVPR1B
SCHEMBL16857968 0.75 MAPT (0.47) AVPR1BALDH1A1LMNAHTTKMT2A
SCHEMBL1465263 0.74 AVPR1B (0.39) AVPR1BALDH1A1GAA
SCHEMBL16857970 0.74 GAA (0.42) AVPR1BALDH1A1KMT2AGAAMAPT

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
US-9487505-B2 Heteroaryl-substituted 1,3-dihydroindol-2-one derivatives and medicaments containing them AbbVie Deutschland GmbH & Co. KG (DE) 2016-11-08 US claimed
EP-1667993-B1 HETEROARYL-SUBSTITUTED 1,3-DIHYDROINDOL-2-ONE DERIVATIVES AND MEDICAMENTS CONTAINING THEM ABBVIE DEUTSCHLAND (DE) 2015-07-01 EP claimed