SCHEMBL3889343

SCHEMBL3889343

O=C(O)c1cc(SSc2cc(C(=O)O)cc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.50
▸ CYP3A4 P08684 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.47
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ SRD5A2 P31213 1/20 0.46
▸ DTYMK P23919 1/20 0.45
▸ CASR P41180 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ ALOX5 P09917 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42

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
SCHEMBL5095344 0.86 TP53 (0.50) TP53TDP1CYP3A4SMN1; SMN2MEN1
SCHEMBL29944162 0.84 CYP3A4 (0.65) TP53TDP1CYP3A4SMN1; SMN2MEN1
SCHEMBL132541 0.84 CYP3A4 (0.65) TP53TDP1CYP3A4SMN1; SMN2MEN1
SCHEMBL232779 0.84 TP53 (0.64) TP53TDP1CYP3A4SMN1; SMN2MEN1
SCHEMBL28837769 0.82 CYP3A4 (0.63) TP53TDP1CYP3A4SMN1; SMN2MEN1
SCHEMBL28837773 0.82 CYP3A4 (0.63) TP53TDP1CYP3A4SMN1; SMN2MEN1
Methane SCHEMBL7896214 0.82 TP53 (0.62) TP53TDP1CYP3A4SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL2299193 0.82 TP53 (0.62) TP53TDP1CYP3A4SMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL3088495 0.82 TP53 (0.62) TP53TDP1CYP3A4SMN1; SMN2MEN1
SCHEMBL9133420 0.82 TP53 (0.62) TP53TDP1CYP3A4SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180164240-A1 SENSOR FOR DETECTION OF ANALYTES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2018-06-14 — — US disclosed
US-7507585-B2 Methods and systems for indentifying and monitoring S-nitrosothiols in biological samples WHALEN ERIN J 2009-03-24 — — US disclosed
US-7150875-B2 Recombinant Plasmodium vivax merozoite protein-1 p42 vaccine THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2006-12-19 — — US disclosed
US-20060264619-A1 Plasmodium falciparum AMA-1 protein and uses thereof LANAR DAVID E 2006-11-23 — — US disclosed
WO-2006076225-A2 METHODS AND SYSTEMS FOR IDENTIFYING AND MONITORING S-NITROSOTHIOLS IN BIOLOGICAL SAMPLES WHALEN ERIN J (US) 2006-07-20 — — WO disclosed
US-20060154376-A1 Methods and systems for indentifying and monitoring S-nitrosothiols in biological samples WHALEN ERIN J 2006-07-13 — — US disclosed
US-7060276-B2 Plasmodium falciparum AMA-1 protein and uses thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2006-06-13 — — US disclosed
US-7029685-B2 Plasmodium falciparum AMA-1 protein and uses thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 2006-04-18 — — US disclosed
US-20030157650-A1 Recombinant P. vivax merozoite protein-1 p42 vaccine ARMY, UNITED STATES OF AMERICA, THE, AS REPRESENTED BY THE SECRETARY 2003-08-21 — — US disclosed
US-20030138450-A1 Plasmodium falciparum AMA-1 protein and uses thereof ARMY, UNITED STATES 2003-07-24 — — US disclosed
US-20030032787-A1 Plasmodium falciparum AMA-1 protein and uses thereof UNITED STATES ARMY 2003-02-13 — — US disclosed
WO-2002077195-A9 PLASMODIUM FALCIPARUM AMA-1 PROTEIN AND USES THEREOF US ARMY (US) 2003-01-09 — — WO disclosed
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