SCHEMBL7187864

SCHEMBL7187864

CN(C)CCN(c1ccc(NC(=C2C(=O)Nc3ccc(NS(=O)(=O)c4ccccc4)cc32)c2ccccc2)cc1)S(=O)(=O)c1ccccc1.CN1CCN(Cc2ccc(NC(=C3C(=O)Nc4ccc(NS(=O)(=O)c5ccccc5)cc43)c3ccccc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.42
AURKA O14965 2/20 0.39
AURKB Q96GD4 1/20 0.39
ACHE P22303 1/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
PKM P14618 2/20 0.38
GAA P10253 2/20 0.38
USP2 O75604 2/20 0.38
NR4A1 P22736 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RET P07949 1/20 0.37
BRD2 P25440 1/20 0.37
MAPK1 P28482 2/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL5426194 0.90 BRD4 (0.45) BRD4AURKAAURKBMEN1KMT2A
SCHEMBL5168100 0.90 BRD4 (0.45) BRD4AURKAAURKBMEN1KMT2A
SCHEMBL6754442 0.89 BRD4 (0.49) BRD4AURKAACHELMNAALDH1A1
SCHEMBL6754440 0.89 BRD4 (0.49) BRD4AURKAACHELMNAALDH1A1
SCHEMBL6753732 0.83 GAA (0.48) BRD4AURKAAURKBACHELMNA
SCHEMBL6753734 0.83 GAA (0.48) BRD4AURKAAURKBACHELMNA
SCHEMBL1116381 0.83 GAA (0.49) BRD4AURKAAURKBACHELMNA
SCHEMBL1116384 0.83 GAA (0.49) BRD4AURKAAURKBACHELMNA
SCHEMBL6984058 0.82 RET (0.45) BRD4ACHERETBRD2ABCB1
SCHEMBL5629033 0.82 RET (0.45) BRD4ACHERETBRD2ABCB1

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-1341760-A1 SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-09-10 EP claimed
WO-2002036564-A1 SULFONYLAMINO SUBSTITUTED 3-(AMINOMETHYLIDE)-2-INDOLINONES AS CELL PROLIFERATION INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-05-10 WO claimed