SCHEMBL10137864

SCHEMBL10137864

CNCc1ccc(-c2cnc(-c3ccc(S(=O)(=O)O)cc3)o2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.43
MMP9 P14780 3/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
CASP1 P29466 1/20 0.43
TP53 P04637 6/20 0.41
POLB P06746 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 3/20 0.41
STAT1 P42224 1/20 0.41
LMNA P02545 2/20 0.40

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
SCHEMBL4000418 0.85 ALOX15 (0.58) MMP2MMP9ALOX15TSHRCASP1
SCHEMBL4000411 0.85 ALOX15 (0.58) MMP2MMP9ALOX15TSHRCASP1
SCHEMBL10137884 0.82 TP53 (0.46) MMP2MMP9TP53POLBTDP1
SCHEMBL6014725 0.78 CA1 (0.50) MMP2MMP9ALOX15TSHRCASP1
SCHEMBL7582809 0.78 CA2 (0.47) TSHRTDP1KDM4EALDH1A1SMN1; SMN2
SCHEMBL20356911 0.77 CA1 (0.49) MMP2MMP9ALOX15TSHRCASP1
SCHEMBL10137886 0.72 NPC1 (0.41) MMP2MMP9ALOX15TSHRCASP1
SCHEMBL12336359 0.71 PTPN1 (0.46) MMP2MMP9TP53RAB9ANPC1
SCHEMBL17321557 0.69 POLB (0.56) TSHRPOLBMEN1KMT2AKDM4E
SCHEMBL9333789 0.69 CA12 (0.46) ALOX15TSHRCASP1NPC1KMT2A

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
US-8389745-B2 Phosphonate fluorescent dyes and conjugates ELITECH HOLDING B.V. (NL) 2013-03-05 US disclosed
US-20120116079-A1 PHOSPHONATE FLUORESCENT DYES AND CONJUGATES ELITECHGROUP MDX LLC 2012-05-10 US disclosed