SCHEMBL21699652

SCHEMBL21699652

CN1S(=O)(=O)c2ccc3ccccc3c2-c2c(ccc3ccccc23)S1(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
TSHR P16473 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP2A6 P11509 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
WDR5 P61964 1/20 0.39
DNMT1 P26358 1/20 0.38
HPRT1 P00492 1/20 0.37
PRNP P04156 1/20 0.37
CES1 P23141 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 2/20 0.35
PAX8 Q06710 1/20 0.35

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
SCHEMBL22182915 0.81 ALDH1A1 (0.39) MAPTTSHRALDH1A1CYP2A6HSD17B10
SCHEMBL18535400 0.73 CA12 (0.49) MAPTTSHRALDH1A1CYP2A6HSD17B10
SCHEMBL12044724 0.73 CA9 (0.50) CA12CA2CA9CA1CA4
SCHEMBL24292392 0.67 ALDH1A1 (0.44) MAPTTSHRALDH1A1CYP2A6HSD17B10
SCHEMBL7201275 0.67 CYP1A2 (0.47) MAPTTSHRALDH1A1CYP2A6HSD17B10
SCHEMBL8768249 0.67 CA12 (0.42) MAPTTSHRALDH1A1CYP2A6HSD17B10
SCHEMBL20215747 0.66 CA12 (0.61) MAPTTSHRALDH1A1CYP2A6HSD17B10
SCHEMBL11908113 0.63 CYP2A6 (0.50) MAPTTSHRALDH1A1CYP2A6HSD17B10
SCHEMBL19230422 0.62 CES1 (0.47) MAPTTSHRALDH1A1CYP2A6HSD17B10
SCHEMBL29352216 0.62 TSHR (0.65) MAPTTSHRALDH1A1CYP2A6HSD17B10

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-20230272272-A1 Surface Treatment Of Quantum Dots UNITED STATES DEPARTMENT OF ENERGY 2023-08-31 US disclosed
US-10998518-B2 Triaryl amine thick layer doped with metal amides for use as HIL for an organic light-emitting diode (OLED) NOVALED GMBH (DE) 2021-05-04 US disclosed
EP-3338314-B1 TRIARYL AMINE THICK LAYER DOPED WITH METAL AMIDES FOR USE AS HOLE INJECTION LAYER FOR AN ORGANIC LIGHT-EMITTING DIODE (OLED) NOVALED GMBH (DE) 2020-02-12 EP disclosed