SCHEMBL18459148

SCHEMBL18459148

CSOCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.59
AKR1C3 P42330 1/20 0.53
LOXL2 Q9Y4K0 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
MAOB P27338 2/20 0.49
TSHR P16473 1/20 0.47
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ACHE P22303 1/20 0.45
HSD17B10 Q99714 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
SCHEMBL8062310 0.85 IDO1 (0.63) IDO1AKR1C3LOXL2CA12CA1
SCHEMBL23448614 0.82 TSHR (0.53) IDO1AKR1C3LOXL2TSHRCYP2C19
SCHEMBL1722787 0.79 IDO1 (0.66) IDO1AKR1C3LOXL2CA12CA1
SCHEMBL293415 0.79 IDO1 (0.66) IDO1AKR1C3LOXL2CA12CA1
SCHEMBL8062311 0.78 IDO1 (0.70) IDO1AKR1C3LOXL2CA12CA1
SCHEMBL37463 0.78 IDO1 (0.70) IDO1AKR1C3LOXL2CA12CA1
SCHEMBL28803512 0.77 IDO1 (0.54) IDO1AKR1C3LOXL2CA12CA1
SCHEMBL7087223 0.76 IDO1 (0.61) IDO1AKR1C3LOXL2CA12CA1
SCHEMBL6577663 0.76 IDO1 (0.61) IDO1AKR1C3LOXL2CA12CA1
SCHEMBL17636185 0.76 IDO1 (0.61) IDO1AKR1C3LOXL2CA12CA1

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
EP-3507292-B1 USE OF SILYLATED FORMIATES AS HYDROSILANE EQUIVALENTS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2020-12-09 EP disclosed
WO-2017019675-A1 HYDROXIDE-CATALYZED FORMATION OF SILICON-OXYGEN BONDS BY DEHYDROGENATIVE COUPLING OF HYDROSILANES AND ALCOHOLS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-02-02 WO disclosed