SCHEMBL8616935

SCHEMBL8616935

O=C(Nc1ccc(NC(=O)c2ccc(NC(=O)Sc3ccccc3)cc2)cc1)Sc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.61
MEN1 O00255 5/20 0.61
POLB P06746 5/20 0.61
KDM4E B2RXH2 3/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
PTPN1 P18031 3/20 0.59
CACNA1B Q00975 1/20 0.57
APBA1 Q02410 1/20 0.57
SIRT1 Q96EB6 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
FFAR1 O14842 1/20 0.56
PPARG P37231 1/20 0.55
NCOA2 Q15596 1/20 0.55
NCOA1 Q15788 1/20 0.55
NCOA3 Q9Y6Q9 1/20 0.55
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL5215152 0.85 TP53 (0.54) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL18103163 0.81 NPC1 (0.88) KMT2AMEN1POLBKDM4ENPC1
SCHEMBL14715847 0.81 PTPN1 (0.84) KMT2AMEN1POLBKDM4ENPC1
SCHEMBL14715824 0.81 NPC1 (0.88) KMT2AMEN1POLBKDM4ENPC1
SCHEMBL22648045 0.81 NPC1 (0.56) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL26953087 0.79 PTPN1 (0.88) KMT2AMEN1POLBKDM4ENPC1
SCHEMBL1315526 0.79 PTPN1 (0.87) KMT2AMEN1POLBKDM4ENPC1
SCHEMBL126415 0.79 PTPN1 (0.87) KMT2AMEN1POLBKDM4ENPC1
SCHEMBL22648006 0.77 CRHBP (0.52) KMT2AMEN1POLBKDM4ENPC1
SCHEMBL22648796 0.77 RAB9A (0.52) KMT2AMEN1POLBKDM4ENPC1

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-0611754-B1 Dimerized thiourea derivatives, near-infrared absorbents comprising the same, and heat wave shielding materials comprising the same JUJO PAPER CO LTD (JP) 1998-04-22 EP disclosed
EP-0611754-A1 Dimerized thiourea derivatives, near-infrared absorbents comprising the same, and heat wave shielding materials comprising the same NIPPON PAPER INDUSTRIES CO., LTD. (JP) 1994-08-24 EP disclosed