SCHEMBL16247434

SCHEMBL16247434

NCCNc1ccc(N=Nc2ccc(N[SH](=O)=O)cc2)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 4/20 0.47
▸ CA12 O43570 1/20 0.40
▸ CA3 P07451 1/20 0.40
▸ CA4 P22748 1/20 0.40
▸ CA6 P23280 1/20 0.40
▸ CA5A P35218 1/20 0.40
▸ CA7 P43166 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ CA14 Q9ULX7 1/20 0.40
▸ CA5B Q9Y2D0 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MAPT P10636 5/20 0.37

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
SCHEMBL8441211 0.83 IDO1 (0.54) IDO1CA12CA3CA4CA6
SCHEMBL8441204 0.83 IDO1 (0.54) IDO1CA12CA3CA4CA6
SCHEMBL8439697 0.81 IDO1 (0.49) IDO1CA12CA3CA4CA6
SCHEMBL8275182 0.81 IDO1 (0.46) IDO1CA12CA3CA4CA6
SCHEMBL30133461 0.80 MEN1 (0.48) IDO1CA12CA3CA4CA6
SCHEMBL8439504 0.80 MEN1 (0.48) IDO1CA12CA3CA4CA6
SCHEMBL21580219 0.80 MEN1 (0.48) IDO1CA12CA3CA4CA6
SCHEMBL12378825 0.74 IDO1 (0.42) IDO1CA12CA3CA4CA6
SCHEMBL8441133 0.74 IDO1 (0.45) IDO1CA12CA3CA4CA6
SCHEMBL8441520 0.74 IDO1 (0.42) IDO1CA12CA3CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9194807-B2 Multi-layered devices for analyte detection KIMBERLY-CLARK WORLDWIDE, INC. (US) 2015-11-24 — — US disclosed
US-20150260658-A1 Multi-Layered Devices for Analyte Detection KIMBERLY CLARK CO (US) 2015-09-17 — — US disclosed
US-8889421-B1 Bulk HME precursor detection kit THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2014-11-18 — — US disclosed
Send feedback