SCHEMBL7520951

SCHEMBL7520951

COC(=O)c1cccc(NS(=O)(=O)c2cc(O)c3ccc(NC(=O)Nc4ccc5c(O)cc(S(=O)(=O)Nc6cccc(C(=O)O)c6)cc5c4)cc3c2)c1

nearest known ligand 0.86

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TCF4 P15884 2/20 0.53
CTNNB1 P35222 2/20 0.53
PRMT1 Q99873 2/20 0.51
IDH1 O75874 1/20 0.51
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
SIRT1 Q96EB6 1/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 1/20 0.48
AKR1C3 P42330 1/20 0.47
MITF O75030 1/20 0.47

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
SCHEMBL6077709 0.96 TCF4 (0.57) TCF4CTNNB1PRMT1IDH1NPC1
SCHEMBL6078502 0.93 PRMT1 (0.58) PRMT1SIRT1MEN1KMT2APOLB
SCHEMBL6427793 0.88 PRMT1 (0.55) PRMT1MAPTSIRT1CYP2C9CYP2C19
SCHEMBL6428056 0.87 PRMT1 (0.58) PRMT1IDH1SIRT1
SCHEMBL6078536 0.85 PRMT1 (0.60) PRMT1MAPTSIRT1MEN1KMT2A
SCHEMBL28327806 0.83 TCF4 (0.61) TCF4CTNNB1RAB9APOLBAKR1C3
SCHEMBL6079475 0.83 PRMT1 (0.62) PRMT1SIRT1MEN1KMT2ACYP2C9
SCHEMBL6428846 0.83 PRMT1 (0.49) PRMT1IDH1MAPTSIRT1POLB
SCHEMBL6078100 0.82 TCF4 (0.68) TCF4CTNNB1IDH1NPC1RAB9A
SCHEMBL6079091 0.82 PRMT1 (0.64) PRMT1SIRT1MEN1KMT2ACYP2C9

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-1181271-A2 NAPHTHALENE UREAS AS GLUCOSE UPTAKE ENHANCERS Telik, Inc. (US) 2002-02-27 EP disclosed
WO-2000071506-A2 NAPHTHALENE UREAS AS GLUCOSE UPTAKE ENHANCERS TELIK, INC. (US) 2000-11-30 WO disclosed