SCHEMBL6681252

SCHEMBL6681252

Nc1ccc2c3ccc4c5c(ccc(c6cccc1c62)c53)C(=O)NC4=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.77
USP2 O75604 6/20 0.77
MEN1 O00255 6/20 0.77
MAPT P10636 4/20 0.77
PARP1 P09874 3/20 0.77
THRB P10828 2/20 0.77
NPSR1 Q6W5P4 2/20 0.77
RGS12 O14924 1/20 0.77
CYP1A2 P05177 1/20 0.77
POLB P06746 1/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2C9 P11712 1/20 0.77
APEX1 P27695 1/20 0.77
CASP1 P29466 1/20 0.77
BRCA1 P38398 1/20 0.77
MTOR P42345 1/20 0.77
RECQL P46063 1/20 0.77
BLM P54132 1/20 0.77
CASP7 P55210 1/20 0.77
GNAI1 P63096 1/20 0.77

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
SCHEMBL29941362 0.87 KMT2A (1.00) KMT2AUSP2MEN1MAPTPARP1
SCHEMBL21124 0.87 KMT2A (1.00) KMT2AUSP2MEN1MAPTPARP1
SCHEMBL7601076 0.81 PARP1 (0.50) KMT2AUSP2MEN1MAPTPARP1
SCHEMBL30606639 0.81 PARP1 (0.50) KMT2AUSP2MEN1MAPTPARP1
SCHEMBL29541 0.81 PARP1 (0.50) KMT2AUSP2MEN1MAPTPARP1
SCHEMBL7598089 0.81 PARP1 (0.50) KMT2AUSP2MEN1MAPTPARP1
SCHEMBL11689659 0.81 USP2 (0.74) KMT2AUSP2MEN1MAPTPARP1
SCHEMBL30369000 0.80 PARP1 (0.64) KMT2AUSP2MEN1MAPTPARP1
SCHEMBL170580 0.80 PARP1 (0.64) KMT2AUSP2MEN1MAPTPARP1
SCHEMBL22619285 0.80 KMT2A (0.79) KMT2AUSP2MEN1MAPTPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1206456-B1 THERMOCHROMIC RYLENE DYES BASF AG (DE) 2004-11-17 EP claimed
US-6486319-B1 Thermochromic rylene dyes BASF AKTIENGESELLSCHAFT (DE) 2002-11-26 US claimed
EP-1206456-B1 THERMOCHROMIC RYLENE DYES BASF AG (DE) 2004-11-17 EP disclosed
CN-1155576-C Thermochromic rylene dyes �����ɷ� 2004-06-30 CN disclosed
US-6486319-B1 Thermochromic rylene dyes BASF AKTIENGESELLSCHAFT (DE) 2002-11-26 US disclosed
US-6486319-B1 Thermochromic rylene dyes BASF AKTIENGESELLSCHAFT (DE) 2002-11-26 US disclosed
CN-1371368-A Thermochromic rylene dyes BASF AG (DE) 2002-09-25 CN disclosed
EP-1206456-A1 THERMOCHROMIC RYLENE DYES BASF AKTIENGESELLSCHAFT (DE) 2002-05-22 EP disclosed
WO-2001016109-A1 THERMOCHROMIC RYLENE DYES BASF AKTIENGESELLSCHAFT (DE) 2001-03-08 WO disclosed