SCHEMBL13730741

SCHEMBL13730741

Nc1cc2c3cc(N)c(O)cc3c3ccccc3c2cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
EP300 Q09472 2/20 0.50
HDAC3 O15379 1/20 0.50
KAT2B Q92831 1/20 0.50
KAT8 Q9H7Z6 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
HPRT1 P00492 1/20 0.50
ALOX15 P16050 5/20 0.46
TSHR P16473 3/20 0.46
HSD17B10 Q99714 6/20 0.45
ALDH1A1 P00352 6/20 0.45
HPGD P15428 4/20 0.45
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 3/20 0.45
GAA P10253 3/20 0.45
MAPT P10636 3/20 0.45
KMT2A Q03164 3/20 0.45
ALOX12 P18054 2/20 0.45
USP2 O75604 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL22142549 0.81 HPRT1 (0.61) IDO1EP300HDAC3KAT2BKAT8
SCHEMBL12124151 0.81 IDO1 (0.56) IDO1EP300HDAC3KAT2BKAT8
SCHEMBL6244226 0.78 HPRT1 (0.73) IDO1EP300HDAC3KAT2BKAT8
SCHEMBL27312853 0.78 HPRT1 (0.63) HPRT1TSHRHSD17B10ALDH1A1HPGD
SCHEMBL7245676 0.76 ALDH1A1 (0.58) IDO1EP300HDAC3KAT2BKAT8
SCHEMBL13730491 0.75 HPRT1 (0.41) HPRT1ALOX15HSD17B10ALDH1A1HPGD
SCHEMBL3878382 0.73 ALDH1A1 (0.56) IDO1EP300HDAC3KAT2BKAT8
SCHEMBL3878280 0.73 AHR (0.61) HSD17B10ALDH1A1KDM4EMAPTPARP1
SCHEMBL3876929 0.73 AHR (0.61) HSD17B10ALDH1A1KDM4EMEN1GAA
SCHEMBL3705973 0.73 KDM4E (0.56) HSD17B10ALDH1A1HPGDKDM4EMEN1

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-20140047976-A1 Cardo-Polybenzoxazole Polymer/Copolymer Membranes For Improved Permeability And Method For Fabricating The Same NATIONAL UNIVERSITY OF SINGAPORE (SG) 2014-02-20 US disclosed
WO-2012148360-A1 CARDO-POLYBENZOXAZOLE POLYMER/COPOLYMER MEMBRANES FOR IMPROVED PERMEABILITY AND METHOD FOR FABRICATING THE SAME NATIONAL UNIVERSITY OF SINGAPORE (SG) 2012-11-01 WO disclosed