SCHEMBL7706007

SCHEMBL7706007

O=C(Nc1ccc(-c2ccc(NC(=O)c3ccc(O)c(C(=O)O)c3)cc2)cc1)c1ccc(O)c(C(=O)O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 2/20 0.62
▸ SIRT6 Q8N6T7 2/20 0.58
▸ PTPN1 P18031 4/20 0.56
▸ DEGS1 O15121 1/20 0.55
▸ KMT2A Q03164 3/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ MCL1 Q07820 2/20 0.53
▸ ACMSD Q8TDX5 2/20 0.53
▸ DHFR P00374 1/20 0.53
▸ HNF4A P41235 1/20 0.53
▸ PKM P14618 2/20 0.53
▸ ALOX15 P16050 1/20 0.52
▸ SIRT3 Q9NTG7 1/20 0.52
▸ LCK P06239 1/20 0.50
▸ TOP2A P11388 1/20 0.50
▸ TOP2B Q02880 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ POLB P06746 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ TSHR P16473 1/20 0.49

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
SCHEMBL13805528 0.90 SIRT6 (0.65) TOP1SIRT6PTPN1DEGS1KMT2A
SCHEMBL3654104 0.89 SIRT6 (0.59) TOP1SIRT6PTPN1KMT2AMEN1
SCHEMBL25452049 0.87 PTPN1 (0.59) TOP1PTPN1DEGS1KMT2AMEN1
SCHEMBL10758235 0.86 SIRT6 (0.64) SIRT6PTPN1DEGS1KMT2AMEN1
SCHEMBL3662655 0.81 NPC1 (0.65) SIRT6DEGS1KMT2AMEN1ACMSD
SCHEMBL1129948 0.79 KMT2A (0.77) SIRT6PTPN1KMT2AMEN1PKM
SCHEMBL13805546 0.79 SIRT6 (0.53) SIRT6PTPN1KMT2AMEN1MCL1
SCHEMBL10759208 0.78 MITF (0.64) SIRT6PTPN1KMT2AMEN1PKM
SCHEMBL3757836 0.78 KMT2A (0.69) TOP1KMT2AMEN1PKMPOLB
SCHEMBL11166112 0.78 TOP1 (0.86) TOP1PTPN1KMT2AMEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6417178-B1 Amyloid binding nitrogen-linked compounds for the antemortem diagnosis of alzheimer's disease, in vivo imaging and prevention of amyloid deposits UNIVERSITY OF PITTSBURGH 2002-07-09 — — US disclosed
Send feedback