SCHEMBL17067860

SCHEMBL17067860

Nc1ccccc1-c1ccc(C(=O)Nc2ccc(S(=O)(=O)O)c3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TIMP3 P35625 5/20 0.64
RECQL P46063 5/20 0.59
KMT2A Q03164 5/20 0.59
HSD17B10 Q99714 5/20 0.59
TDP1 Q9NUW8 5/20 0.59
MEN1 O00255 3/20 0.59
ALDH1A1 P00352 3/20 0.59
USP2 O75604 2/20 0.59
HPSE Q9Y251 4/20 0.55
MAPT P10636 4/20 0.55
PKM P14618 4/20 0.55
SIRT2 Q8IXJ6 4/20 0.55
SIRT1 Q96EB6 4/20 0.55
P2RY11 Q96G91 3/20 0.55
P2RX1 P51575 3/20 0.55
P2RX3 P56373 3/20 0.55
BRCA1 P38398 2/20 0.55
ENPP3 O14638 1/20 0.55
ENTPD3 O75355 1/20 0.55
NR1I2 O75469 1/20 0.55

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
SCHEMBL12903174 0.86 CD40 (0.48) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL14557795 0.86 TIMP3 (0.71) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL375680 0.85 TIMP3 (0.75) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL18211300 0.84 TIMP3 (0.60) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL18211299 0.84 TIMP3 (0.54) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL18211298 0.84 TIMP3 (0.64) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL18136599 0.81 TIMP3 (0.93) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL11593603 0.80 TIMP3 (0.68) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL3295536 0.80 P2RY11 (0.68) TIMP3RECQLKMT2AHSD17B10TDP1
SCHEMBL3300014 0.80 HSD17B10 (0.74) TIMP3RECQLKMT2AHSD17B10TDP1

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-9486497-B2 Treatment of immunocompromised conditions THE UNIVERSITY OF QUEENSLAND (AU) 2016-11-08 US disclosed
EP-2915539-A1 Treatment of immunocompromised conditions with E-Selectin antagonist and G-CSF Mater Medical Research Institute (AU) 2015-09-09 EP disclosed