SCHEMBL7088080

SCHEMBL7088080

N#Cc1cc2ccccc2n1-c1ccc(NC(=O)c2ccc(OCCCC3OCCO3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 5/20 0.40
KMT2A Q03164 5/20 0.40
RAB9A P51151 5/20 0.40
MEN1 O00255 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HIF1A Q16665 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MCHR1 Q99705 2/20 0.38
ALOX15 P16050 1/20 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
SCHEMBL6986838 0.86 CNR2 (0.45) MAPTTSHRHSD17B10HPGDTAAR1
SCHEMBL5205222 0.76 EPHX2 (0.48) MAPTNPC1RAB9A
SCHEMBL7092382 0.75 ITK (0.31)
SCHEMBL7237026 0.73 MAPT (0.45) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7631313 0.73 MAPT (0.45) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6992299 0.69 CACNA1B (0.42) MAPTTP53KMT2AMEN1ALDH1A1
SCHEMBL7240172 0.68 EPHX2 (0.48) MAPTTP53SMN1; SMN2
SCHEMBL28438174 0.65 NR1H4 (0.50) MAPTTP53NPC1KMT2ARAB9A
SCHEMBL18259963 0.64 MEN1 (0.58) TSHRTP53KMT2AMEN1ALDH1A1
SCHEMBL9170611 0.64 NR1H2 (0.43) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303508-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2003-04-23 EP claimed
WO-2002006273-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-01-24 WO claimed
EP-1303508-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2003-04-23 EP disclosed
US-6353007-B1 ANTIINFLAMMATORY AGENTS AND INHIBITORS OF CELLULAR POLIFERATION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-03-05 US disclosed
WO-2002006273-A1 SUBSTITUTED 1-(4-AMINOPHENYL)INDOLES AND THEIR USE AS ANTI-INFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-01-24 WO disclosed